dodecyl-[18-[dodecyl(dimethyl)azaniumyl]octadecan-3-yl]-dimethyl-azanium dibromide

Systemtic Name: dodecyl-[18-[dodecyl(dimethyl)azaniumyl]octadecan-3-yl]-dimethyl-azanium dibromide Openeye Name: dodecyl-[16-[dodecyl(dimethyl)ammonio]-1-ethyl-hexadecyl]-dimethyl-ammonium dibromide CAS Name: dodecyl-[18-[dodecyl(dimethyl)ammonio]octadecan-3-yl]-dimethylammonium dibromide IUPAC Name: dodecyl-[18-[dodecyl(dimethyl)azaniumyl]octadecan-3-yl]-dimethylazanium dibromide Traditional Name: [1-ethyl-16-[lauryl(dimethyl)ammonio]hexadecyl]-lauryl-dimethyl-ammonium dibromide Formula: C46H98Br2N2 MolecularWeight: 839.09172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H98N2.2BrH/c1-8-11-13-15-17-19-27-31-35-39-43-47(4,5)44-40-36-32-28-25-23-21-22-24-26-30-34-38-42-46(10-3)48(6,7)45-41-37-33-29-20-18-16-14-12-9-2;;/h46H,8-45H2,1-7H3;2*1H/q+2;;/p-2