dodecyl-[16-[dodecyl(dimethyl)azaniumyl]hexadecyl]-dimethyl-azanium dibromide

Systemtic Name: dodecyl-[16-[dodecyl(dimethyl)azaniumyl]hexadecyl]-dimethyl-azanium dibromide Openeye Name: dodecyl-[16-[dodecyl(dimethyl)ammonio]hexadecyl]-dimethyl-ammonium dibromide CAS Name: dodecyl-[16-[dodecyl(dimethyl)ammonio]hexadecyl]-dimethylammonium dibromide IUPAC Name: dodecyl-[16-[dodecyl(dimethyl)azaniumyl]hexadecyl]-dimethylazanium dibromide Traditional Name: lauryl-[16-[lauryl(dimethyl)ammonio]hexadecyl]-dimethyl-ammonium dibromide Formula: C44H94Br2N2 MolecularWeight: 811.03856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C44H94N2.2BrH/c1-7-9-11-13-15-17-25-29-33-37-41-45(3,4)43-39-35-31-27-23-21-19-20-22-24-28-32-36-40-44-46(5,6)42-38-34-30-26-18-16-14-12-10-8-2;;/h7-44H2,1-6H3;2*1H/q+2;;/p-2