hexadecyl-[3-[hexadecyl(dimethyl)azaniumyl]propyl]-dimethyl-azanium dibromide

Systemtic Name: hexadecyl-[3-[hexadecyl(dimethyl)azaniumyl]propyl]-dimethyl-azanium dibromide Openeye Name: hexadecyl-[3-[hexadecyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dibromide CAS Name: hexadecyl-[3-[hexadecyl(dimethyl)ammonio]propyl]-dimethylammonium dibromide IUPAC Name: hexadecyl-[3-[hexadecyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide Traditional Name: cetyl-[3-[cetyl(dimethyl)ammonio]propyl]-dimethyl-ammonium dibromide Formula: C39H84Br2N2 MolecularWeight: 740.90566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H84N2.2BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(3,4)38-35-39-41(5,6)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-39H2,1-6H3;2*1H/q+2;;/p-2