(3R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C24H31N4O2S+ MolecularWeight: 439.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@@H]3CC(=O)N(C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H30N4O2S/c1-17-14-20(27-12-10-26(2)11-13-27)6-9-22(17)25-24(30)18-15-23(29)28(16-18)19-4-7-21(31-3)8-5-19/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,25,30)/p+1/t18-/m1/s1