hexadecyl-[2-[2-[hexadecyl(dimethyl)azaniumyl]ethyl-methyl-amino]ethyl]-dimethyl-azanium dibromide

Systemtic Name: hexadecyl-[2-[2-[hexadecyl(dimethyl)azaniumyl]ethyl-methyl-amino]ethyl]-dimethyl-azanium dibromide Openeye Name: hexadecyl-[2-[2-[hexadecyl(dimethyl)ammonio]ethyl-methyl-amino]ethyl]-dimethyl-ammonium dibromide CAS Name: hexadecyl-[2-[2-[hexadecyl(dimethyl)ammonio]ethyl-methylamino]ethyl]-dimethylammonium dibromide IUPAC Name: hexadecyl-[2-[2-[hexadecyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl]-dimethylazanium dibromide Traditional Name: cetyl-[2-[2-[cetyl(dimethyl)ammonio]ethyl-methyl-amino]ethyl]-dimethyl-ammonium dibromide Formula: C41H89Br2N3 MolecularWeight: 783.97346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C41H89N3.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-43(4,5)40-36-42(3)37-41-44(6,7)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;;/h8-41H2,1-7H3;2*1H/q+2;;/p-2