2-[2-[dimethyl(octadecyl)azaniumyl]ethoxy]ethyl-dimethyl-octadecyl-azanium dibromide

Systemtic Name: 2-[2-[dimethyl(octadecyl)azaniumyl]ethoxy]ethyl-dimethyl-octadecyl-azanium dibromide Openeye Name: 2-[2-[dimethyl(octadecyl)ammonio]ethoxy]ethyl-dimethyl-octadecyl-ammonium dibromide CAS Name: 2-[2-[dimethyl(octadecyl)ammonio]ethoxy]ethyl-dimethyl-octadecylammonium dibromide IUPAC Name: 2-[2-[dimethyl(octadecyl)azaniumyl]ethoxy]ethyl-dimethyl-octadecylazanium dibromide Traditional Name: 2-[2-[dimethyl(stearyl)ammonio]ethoxy]ethyl-dimethyl-stearyl-ammonium dibromide Formula: C44H94Br2N2O MolecularWeight: 827.03796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCOCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C44H94N2O.2BrH/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(3,4)41-43-47-44-42-46(5,6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-44H2,1-6H3;2*1H/q+2;;/p-2