[4-[2-(benzenecarbonothioylsulfanyl)propan-2-yl]phenyl]methyl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name: [4-[2-(benzenecarbonothioylsulfanyl)propan-2-yl]phenyl]methyl-dimethyl-(3-sulfopropyl)azanium Openeye Name: [4-[1-(benzenecarbonothioylsulfanyl)-1-methyl-ethyl]phenyl]methyl-dimethyl-(3-sulfopropyl)ammonium CAS Name: [4-[2-(benzenecarbonothioylthio)propan-2-yl]phenyl]methyl-dimethyl-(3-sulfopropyl)ammonium IUPAC Name: [4-[2-(benzenecarbonothioylsulfanyl)propan-2-yl]phenyl]methyl-dimethyl-(3-sulfopropyl)azanium Traditional Name: [4-[1-(benzenecarbonothioylthio)-1-methyl-ethyl]benzyl]-dimethyl-(3-sulfopropyl)ammonium Formula: C22H30NO3S3+ MolecularWeight: 452.6735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C[N+](C)(C)CCCS(=O)(=O)O)SC(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C[N+](C)(C)CCCS(=O)(=O)O)SC(=S)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO3S3/c1-22(2,28-21(27)19-9-6-5-7-10-19)20-13-11-18(12-14-20)17-23(3,4)15-8-16-29(24,25)26/h5-7,9-14H,8,15-17H2,1-4H3/p+1