dodecyl-dimethyl-(phenylmethyl)azanium; hexadecyl-dimethyl-(phenylmethyl)azanium; dichloride

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; hexadecyl-dimethyl-(phenylmethyl)azanium; dichloride Openeye Name: benzyl-dodecyl-dimethyl-ammonium; benzyl-hexadecyl-dimethyl-ammonium; dichloride CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; hexadecyl-dimethyl-(phenylmethyl)ammonium; dichloride IUPAC Name: benzyl-dodecyl-dimethylazanium; benzyl-hexadecyl-dimethylazanium; dichloride Traditional Name: benzyl-cetyl-dimethyl-ammonium; benzyl-lauryl-dimethyl-ammonium; dichloride Formula: C46H84Cl2N2 MolecularWeight: 736.07856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.C21H38N.2ClH/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;1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;13-15,17-18H,4-12,16,19-20H2,1-3H3;2*1H/q2*+1;;/p-2