6-[dimethyl(3-oxidanylpropyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium dibromide

Systemtic Name: 6-[dimethyl(3-oxidanylpropyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium dibromide Openeye Name: dodecyl-[6-[3-hydroxypropyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: dodecyl-[6-[3-hydroxypropyl(dimethyl)ammonio]hexyl]-dimethylammonium dibromide IUPAC Name: dodecyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: 3-hydroxypropyl-[6-[lauryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C25H56Br2N2O MolecularWeight: 560.53294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCO.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCO.[Br-].[Br-]

InChI

InChI=1S/C25H56N2O.2BrH/c1-6-7-8-9-10-11-12-13-14-17-21-26(2,3)22-18-15-16-19-23-27(4,5)24-20-25-28;;/h28H,6-25H2,1-5H3;2*1H/q+2;;/p-2