dimethyl-(phenylmethyl)-tetradecyl-azanium; dodecyl-dimethyl-(phenylmethyl)azanium; hexadecyl-dimethyl-(phenylmethyl)azanium; trichloride

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium; dodecyl-dimethyl-(phenylmethyl)azanium; hexadecyl-dimethyl-(phenylmethyl)azanium; trichloride Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; benzyl-dodecyl-dimethyl-ammonium; benzyl-hexadecyl-dimethyl-ammonium; trichloride CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; dodecyl-dimethyl-(phenylmethyl)ammonium; hexadecyl-dimethyl-(phenylmethyl)ammonium; trichloride IUPAC Name: benzyl-dimethyl-tetradecylazanium; benzyl-dodecyl-dimethylazanium; benzyl-hexadecyl-dimethylazanium; trichloride Traditional Name: benzyl-cetyl-dimethyl-ammonium; benzyl-dimethyl-myristyl-ammonium; benzyl-lauryl-dimethyl-ammonium; trichloride Formula: C69H126Cl3N3 MolecularWeight: 1104.11784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C25H46N.C23H42N.C21H38N.3ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;15-17,19-20H,4-14,18,21-22H2,1-3H3;13-15,17-18H,4-12,16,19-20H2,1-3H3;3*1H/q3*+1;;;/p-3