butyl-methyl-[5-methyl-2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-(4-sulfanylphenyl)carbonyl-azanium

Systemtic Name: butyl-methyl-[5-methyl-2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-(4-sulfanylphenyl)carbonyl-azanium Openeye Name: butyl-[2-(4-hydroxy-4-oxo-butyl)-5-methyl-phenyl]-methyl-(4-sulfanylbenzoyl)ammonium CAS Name: butyl-[2-(4-hydroxy-4-oxobutyl)-5-methylphenyl]-[(4-mercaptophenyl)-oxomethyl]-methylammonium IUPAC Name: butyl-[2-(4-hydroxy-4-oxobutyl)-5-methylphenyl]-methyl-(4-sulfanylbenzoyl)azanium Traditional Name: butyl-[2-(4-hydroxy-4-keto-butyl)-5-methyl-phenyl]-(4-mercaptobenzoyl)-methyl-ammonium Formula: C23H30NO3S+ MolecularWeight: 400.5542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3S/c1-4-5-15-24(3,23(27)19-11-13-20(28)14-12-19)21-16-17(2)9-10-18(21)7-6-8-22(25)26/h9-14,16H,4-8,15H2,1-3H3,(H-,25,26,27,28)/p+1