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

Systemtic Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C23H28N4O2S/c1-25-10-12-26(13-11-25)19-8-6-18(7-9-19)24-23(29)17-14-22(28)27(16-17)20-4-3-5-21(15-20)30-2/h3-9,15,17H,10-14,16H2,1-2H3,(H,24,29)/p+1/t17-/m0/s1