Quaternary ammonium salts
Tetraheptylammonium Bromide, TRC
CAS: 4368-51-8 Molecular Formula: C28H60BrN Molecular Weight (g/mol): 490.69 Synonym: N,N,N-Triheptyl-1-heptanaminium Bromide;Tetraheptylammonium Bromide,Tetraheptylammonium Bromide;Tetra(n-heptyl)ammonium Bromide IUPAC Name: tetraheptylazanium;bromide SMILES: [Br-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
Esmolol Acid, TRC
CAS: 81148-15-4 Molecular Formula: C15 H23 N O4 Molecular Weight (g/mol): 281.35 IUPAC Name: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid SMILES: CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1
Methyltrioctylammonium Chloride, TRC
CAS: 5137-55-3 Molecular Formula: C25 H54 N . Cl Molecular Weight (g/mol): 404.16 Synonym: Methyltrioctylammonium Chloride,A 336,A 336 (catalyst),Aliquat 128,Capriquat,Methyltri-n-octylammonium Chloride,Methyltricaprylammonium Chloride,N-Methyl-N,N,N-trioctylammonium Chloride,TOMAC,TOMAC 75,Tri-n-octylmethylammonium Chloride,Tricaprylmethylammonium Chloride,Trioctylmonomethylammonium Chloride; IUPAC Name: methyl(trioctyl)azanium;chloride SMILES: [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
D-Carnitine, TRC
CAS: 541-14-0 Molecular Formula: C7 H15 N O3 Molecular Weight (g/mol): 161.2 Synonym: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2S)-,1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (S)-,Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, D- (8CI),(+)-Carnitine,(+)-D-Carnitine,D-(+)-Carnitine,D-Carnitine,d-Carnitine IUPAC Name: (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate SMILES: C[N+](C)(C)C[C@@H](O)CC(=O)[O-]
Choline Chloride, TRC
CAS: 67-48-1 Molecular Formula: C5 H14 N O . Cl Molecular Weight (g/mol): 139.62 Synonym: Choline, chloride (8CI),Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (9CI),(2-Hydroxyethyl)trimethylammonium chloride,(β-Hydroxyethyl)trimethylammonium chloride,Actiron CC 6,Bilineurin chloride,Biocolina,Biocoline,COL 24,Choline chloride,Cholinium chloride,Claytreat,Hepacholine,Hormocline,Lipotril,Luridin chloride,Neocolina,Norcol 25,Paresan,ReaShure Choline,Trimethyl(2-hydroxyethyl)ammonium chloride IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride SMILES: [Cl-].C[N+](C)(C)CCO
Dimethyldimyristylammonium Chloride, TRC
CAS: 10108-91-5 Molecular Formula: C30 H64 N . Cl Molecular Weight (g/mol): 474.29 Synonym: Dimethylditetradecylammonium Chloride,1-Tetradecanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1),1-Tetradecanaminium, N,N-dimethyl-N-tetradecyl-, chloride (9CI),Ammonium, dimethylditetradecyl-, chloride (8CI),Dimethylditetradecylammonium chloride (7CI),Dimethyldimyristylammonium chloride,Dimyristyl dimethyl ammonium chloride,Ditetradecyldimethylammonium chloride,N,N-Dimethyl-N,N-ditetradecylammonium chloride,Dimethylditetradecylammonium Chloride,1-Tetradecanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1),1-Tetradecanaminium, N,N-dimethyl-N-tetradecyl-, chloride (9CI),Ammonium, dimethylditetradecyl-, chloride (8CI),Dimethylditetradecylammonium chloride (7CI),Dimyristyl dimethyl ammonium chloride,Ditetradecyldimethylammonium chloride,N,N-Dimethyl-N,N-ditetradecylammonium chloride IUPAC Name: dimethyl-di(tetradecyl)azanium;chloride SMILES: [Cl-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC
Polyquaternium 1, TRC
CAS: 75345-27-6 Molecular Formula: (C6H12ClN)n.C16H36Cl2N2O6 Molecular Weight (g/mol): 556.99 Synonym: α-[4-[Tris(2-hydroxyethyl)ammonio]-2-buten-1-yl]-ω-[tris(2-hydroxyethyl)ammonio]poly[(dimethyliminio)-2-butene-1,4-diyl Chloride] Chloride,Onamer M,Onyxsperse 12S,Polidronium Chloride,Polyquad,Polyquat 1; IUPAC Name: dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium;trichloride SMILES: C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-]
Didodecyldimethylammonium Chloride, TRC
CAS: 3401-74-9 Molecular Formula: C26 H56 N . Cl Molecular Weight (g/mol): 418.18 Synonym: 1-Dodecanaminium, N-dodecyl-N,N-dimethyl-, chloride (9CI),Ammonium, didodecyldimethyl-, chloride (8CI),Didodecyldimethylammonium chloride (6CI,7CI),AQ 212,Aliquat 204,Dilauryldimethylammonium chloride,Dimethyldidodecylammonium chloride,Dimethyldilaurylammonium chloride,Isothan DL,Isothan DL 1,Quartamin D 24E,Quaternium 47,1-Dodecanaminium, N-dodecyl-N,N-dimethyl-, chloride (9CI),Ammonium, didodecyldimethyl-, chloride (8CI),Didodecyldimethylammonium chloride (6CI,7CI),AQ 212,Aliquat 204,Dilauryldimethylammonium chloride,Dimethyldidodecylammonium chloride,Dimethyldilaurylammonium chloride,Isothan DL,Isothan DL 1,Quartamin D 24E,Quaternium 47 IUPAC Name: didodecyl(dimethyl)azanium;chloride SMILES: [Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
Chlorocholine Chloride, TRC
CAS: 999-81-5 Molecular Formula: C5 H13 Cl N . Cl Molecular Weight (g/mol): 158.07 Synonym: Chlormequat Chloride,(2-Chloroethyl)trimethylammonium chloride (6CI,7CI),Ammonium, (2-chloroethyl)trimethyl-, chloride (8CI),Ethanaminium, 2-chloro-N,N,N-trimethyl-, chloride (9CI),(β-Chloroethyl)trimethylammonium chloride,60CS16,Antywylegacz,Antywylegacz Plynny,Antywylegacz plynny 675SL,Barleyquat B,Bercema CCC,C5 SUN,CCC,Chlorcholine chloride,Chlormequat chloride,Chlorocholine chloride,Cycocel,Cycocel Extra,Cycogan,Cysocel,Halloween,Lihocin,Microcil,New 5C Cycocel,New '5c' Cycocel,Retacel,Stabilan,TUR,Trimethyl-β-chloroethylammonium chloride,Tuval,WR 62,Zar IUPAC Name: 2-chloroethyl(trimethyl)azanium;chloride SMILES: [Cl-].C[N+](C)(C)CCCl
Decyltrimethylammonium Chloride, TRC
CAS: 10108-87-9 Molecular Formula: C13H30N . Cl Molecular Weight (g/mol): 235.84 Synonym: 1-Decanaminium, N,N,N-trimethyl-, chloride (1:1) (ACI),1-Decanaminium, N,N,N-trimethyl-, chloride (9CI),Ammonium, decyltrimethyl-, chloride (8CI),Decyltrimethylammonium chloride (7CI),Capryltrimethylammonium chloride,n-Decyltrimethylammonium chloride,Trimethylcaprylammonium chloride,Trimethyldecylammonium chloride,Decyl(trimethyl)ammonium chloride SMILES: [Cl-].CCCCCCCCCC[N+](C)(C)C
Dihexadecyldimethylammonium Chloride, TRC
CAS: 1812-53-9 Molecular Formula: C34 H72 N . Cl Molecular Weight (g/mol): 530.4 Synonym: Dimethyldipalmitylammonium Chloride,1-Hexadecanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1),1-Hexadecanaminium, N-hexadecyl-N,N-dimethyl-, chloride (9CI),Ammonium, dihexadecyldimethyl-, chloride (8CI),Dihexadecyldimethylammonium chloride (6CI,7CI),Adogen 432-100,Adogen 432CG,Adogen 432PG,Aliquat 206,Ammonyx D 34,Dicetyldimethylammonium chloride,Dicetyldimonium chloride,Dimethyldicetylammonium chloride,Dimethyldihexadecylammonium chloride,Dimethyldipalmitylammonium chloride,Dipalmityldimethylammonium chloride,N,N-Dimethyl-N,N-dihexadecylammonium chloride,Varisoft 432PG,Varisoft 432PPG IUPAC Name: dihexadecyl(dimethyl)azanium;chloride SMILES: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
Epirubicinol (Mixture of Diastereomers), TRC
CAS: 76155-56-1 Molecular Formula: C27 H31 N O11 Molecular Weight (g/mol): 545.54 Synonym: 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-,5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, [8S-[8α,8(R*),10α]]-,(8S,10S)-10-[(3-Amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione,4'-Epiadriamycinol,Epidoxorubicinol,Epirubicinol IUPAC Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-[(1S)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO
Carnitine Orotate, TRC
CAS: 32543-38-7 Molecular Formula: C7 H16 N O3 . C5 H3 N2 O4 Molecular Weight (g/mol): 317.3 Synonym: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate (1:1),(3-Carboxy-2-hydroxypropyl)trimethylammonium orotate (7CI),1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, salt with 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid (1:1) (9CI),Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, orotate (8CI),Carnitine orotate,DL-Carnitine Orotate IUPAC Name: (3-carboxy-2-hydroxypropyl)-trimethylazanium;2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: C[N+](C)(C)CC(O)CC(=O)O.[O-]C(=O)C1=CC(=O)NC(=O)N1
Trioctylmethylammonium Chloride, TRC
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Hexadecyltrimethylammonium Bromide, TRC
CAS: 57-09-0 Molecular Formula: C19 H42 N . Br Molecular Weight (g/mol): 364.45 Synonym: 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1),1-Hexadecanaminium, N,N,N-trimethyl-, bromide (9CI),Ammonium, hexadecyltrimethyl-, bromide (8CI),Hexadecyltrimethylammonium bromide (6CI),1-Hexadecyltrimethylammonium bromide,Accelerator 1631,Accelerator DT 3126-1,Acetoquat CTAB,Arquad 16/60,BCTA,Bromat,C16TAB,CTAB,CTABr,CTMAB,CTMB,Catinal HTB 70ET,Cetremide,Cetrimonium bromide,Cetyltrimethylammonium bromide,Cirrasol OD,HDTMA-Br,HTAB,Hexadecanyltrimethylammonium bromide,Hexadecyltrimethylamine bromide,Lauroseptol,Lissolamine,Lissolamine A,Micol,N,N,N-Trimethyl-1-hexadecanaminium bromide,N,N,N-Trimethylhexadecan-1-ammonium bromide,N,N,N-Trimethylhexadecylammonium bromide,N-Cetyl-N,N,N-trimethylammonium bromide,N-Cetyltrimethylammonium bromide,N-Hexadecyl-N,N,N-trimethylammonium bromide,Palmityltrimethylammonium bromide,Pollacid,Quamonium,Rhodaquat M 242B99,Softex KW,Trimethylcetylammonium bromide,Trimethylhexadecylammonium bromide,Varisoft CTB 40,ZYS 08,n-Hexadecyltrimethylammonium bromide IUPAC Name: hexadecyl(trimethyl)azanium;bromide SMILES: [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C