2-[2-[dimethyl(2-oxidanylidenedecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxidanylidenedecyl)azanium dibromide

Systemtic Name: 2-[2-[dimethyl(2-oxidanylidenedecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxidanylidenedecyl)azanium dibromide Openeye Name: 2-[2-[dimethyl(2-oxodecyl)ammonio]ethylsulfanyl]ethyl-dimethyl-(2-oxodecyl)ammonium dibromide CAS Name: 2-[2-[dimethyl(2-oxodecyl)ammonio]ethylthio]ethyl-dimethyl-(2-oxodecyl)ammonium dibromide IUPAC Name: 2-[2-[dimethyl(2-oxodecyl)azaniumyl]ethylsulfanyl]ethyl-dimethyl-(2-oxodecyl)azanium dibromide Traditional Name: 2-ketodecyl-[2-[2-[2-ketodecyl(dimethyl)ammonio]ethylthio]ethyl]-dimethyl-ammonium dibromide Formula: C28H58Br2N2O2S MolecularWeight: 646.64532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)CCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCC(=O)C[N+](C)(C)CCSCC[N+](C)(C)CC(=O)CCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C28H58N2O2S.2BrH/c1-7-9-11-13-15-17-19-27(31)25-29(3,4)21-23-33-24-22-30(5,6)26-28(32)20-18-16-14-12-10-8-2;;/h7-26H2,1-6H3;2*1H/q+2;;/p-2