dodecyl-dimethyl-(phenylmethyl)azanium; 1-(hexadecanoylamino)propyl-trimethyl-azanium; dichloride

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; 1-(hexadecanoylamino)propyl-trimethyl-azanium; dichloride Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 1-(hexadecanoylamino)propyl-trimethyl-ammonium; dichloride CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; trimethyl-[1-(1-oxohexadecylamino)propyl]ammonium; dichloride IUPAC Name: benzyl-dodecyl-dimethylazanium; 1-(hexadecanoylamino)propyl-trimethylazanium; dichloride Traditional Name: benzyl-lauryl-dimethyl-ammonium; trimethyl(1-palmitamidopropyl)ammonium; dichloride Formula: C43H85Cl2N3O MolecularWeight: 731.0605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H46N2O.C21H38N.2ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21(7-2)24(3,4)5;1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;/h21H,6-20H2,1-5H3;13-15,17-18H,4-12,16,19-20H2,1-3H3;2*1H/q;+1;;/p-1