6-[dimethyl-[3-(3-oxidanylidene-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(3-oxidanylidene-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azanium

Systemtic Name: 6-[dimethyl-[3-(3-oxidanylidene-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(3-oxidanylidene-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azanium Openeye Name: 3-(1-isopropylsulfanyl-3-oxo-isoindolin-2-yl)propyl-[6-[3-(1-isopropylsulfanyl-3-oxo-isoindolin-2-yl)propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium CAS Name: 6-[dimethyl-[3-[3-oxo-1-(propan-2-ylthio)-1H-isoindol-2-yl]propyl]ammonio]hexyl-dimethyl-[3-[3-oxo-1-(propan-2-ylthio)-1H-isoindol-2-yl]propyl]ammonium IUPAC Name: 6-[dimethyl-[3-(3-oxo-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(3-oxo-1-propan-2-ylsulfanyl-1H-isoindol-2-yl)propyl]azanium Traditional Name: 3-[1-(isopropylthio)-3-keto-isoindolin-2-yl]propyl-[6-[3-[1-(isopropylthio)-3-keto-isoindolin-2-yl]propyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium Formula: C38H60N4O2S2+2 MolecularWeight: 669.0386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1C2=CC=CC=C2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(C4=CC=CC=C4C3=O)SC(C)C

Isomeric SMILES

CC(C)SC1C2=CC=CC=C2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(C4=CC=CC=C4C3=O)SC(C)C

InChI

InChI=1S/C38H60N4O2S2/c1-29(2)45-37-33-21-13-11-19-31(33)35(43)39(37)23-17-27-41(5,6)25-15-9-10-16-26-42(7,8)28-18-24-40-36(44)32-20-12-14-22-34(32)38(40)46-30(3)4/h11-14,19-22,29-30,37-38H,9-10,15-18,23-28H2,1-8H3/q+2