dodecyl-[1-[dodecyl(dimethyl)azaniumyl]-2-oxidanyl-propan-2-yl]-dimethyl-azanium dibromide

Systemtic Name: dodecyl-[1-[dodecyl(dimethyl)azaniumyl]-2-oxidanyl-propan-2-yl]-dimethyl-azanium dibromide Openeye Name: dodecyl-[2-[dodecyl(dimethyl)ammonio]-1-hydroxy-1-methyl-ethyl]-dimethyl-ammonium dibromide CAS Name: dodecyl-[1-[dodecyl(dimethyl)ammonio]-2-hydroxypropan-2-yl]-dimethylammonium dibromide IUPAC Name: dodecyl-[1-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropan-2-yl]-dimethylazanium dibromide Traditional Name: [1-hydroxy-2-[lauryl(dimethyl)ammonio]-1-methyl-ethyl]-lauryl-dimethyl-ammonium dibromide Formula: C31H68Br2N2O MolecularWeight: 644.69242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H68N2O.2BrH/c1-8-10-12-14-16-18-20-22-24-26-28-32(4,5)30-31(3,34)33(6,7)29-27-25-23-21-19-17-15-13-11-9-2;;/h34H,8-30H2,1-7H3;2*1H/q+2;;/p-2