(3S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carboxamide Formula: C24H30ClN4O3+ MolecularWeight: 457.973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H29ClN4O3/c1-16-4-7-22(32-3)21(12-16)29-15-17(13-23(29)30)24(31)26-19-14-18(25)5-6-20(19)28-10-8-27(2)9-11-28/h4-7,12,14,17H,8-11,13,15H2,1-3H3,(H,26,31)/p+1/t17-/m0/s1