2-ethanoylsulfanylethyl-[2-[4-[4-[2-[2-ethanoylsulfanylethyl(dimethyl)azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl]-dimethyl-azanium dibromide

Systemtic Name: 2-ethanoylsulfanylethyl-[2-[4-[4-[2-[2-ethanoylsulfanylethyl(dimethyl)azaniumyl]-2-oxidanylidene-ethyl]phenyl]phenyl]ethanoyl]-dimethyl-azanium dibromide Openeye Name: 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide CAS Name: 2-(acetylthio)ethyl-[2-[4-[4-[2-[2-(acetylthio)ethyl-dimethylammonio]-2-oxoethyl]phenyl]phenyl]-1-oxoethyl]-dimethylammonium dibromide IUPAC Name: 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide Traditional Name: 2-(acetylthio)ethyl-[2-[4-[4-[2-[2-(acetylthio)ethyl-dimethyl-ammonio]-2-keto-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium dibromide Formula: C28H38Br2N2O4S2 MolecularWeight: 690.55032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCSC(=O)C.[Br-].[Br-]

Isomeric SMILES

CC(=O)SCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCSC(=O)C.[Br-].[Br-]

InChI

InChI=1S/C28H38N2O4S2.2BrH/c1-21(31)35-17-15-29(3,4)27(33)19-23-7-11-25(12-8-23)26-13-9-24(10-14-26)20-28(34)30(5,6)16-18-36-22(2)32;;/h7-14H,15-20H2,1-6H3;2*1H/q+2;;/p-2