6-[dimethyl(2-prop-2-enoxyethyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium dibromide

Systemtic Name: 6-[dimethyl(2-prop-2-enoxyethyl)azaniumyl]hexyl-dodecyl-dimethyl-azanium dibromide Openeye Name: 2-allyloxyethyl-[6-[dodecyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: 6-[dimethyl(2-prop-2-enoxyethyl)ammonio]hexyl-dodecyl-dimethylammonium dibromide IUPAC Name: 6-[dimethyl(2-prop-2-enoxyethyl)azaniumyl]hexyl-dodecyl-dimethylazanium dibromide Traditional Name: 2-allyloxyethyl-[6-[lauryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C27H58Br2N2O MolecularWeight: 586.57022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H58N2O.2BrH/c1-7-9-10-11-12-13-14-15-16-19-22-28(3,4)23-20-17-18-21-24-29(5,6)25-27-30-26-8-2;;/h8H,2,7,9-27H2,1,3-6H3;2*1H/q+2;;/p-2