hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethyl-azanium dichloride

Systemtic Name: hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethyl-azanium dichloride Openeye Name: hexadecyl-[6-[hexadecyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dichloride CAS Name: hexadecyl-[6-[hexadecyl(dimethyl)ammonio]hexyl]-dimethylammonium dichloride IUPAC Name: hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dichloride Traditional Name: cetyl-[6-[cetyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dichloride Formula: C42H90Cl2N2 MolecularWeight: 694.0834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C42H90N2.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(3,4)41-37-33-34-38-42-44(5,6)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-42H2,1-6H3;2*1H/q+2;;/p-2