(2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2R)-5-keto-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]pyrrolidine-2-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCC(=O)N4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@H]4CCC(=O)N4

InChI

InChI=1S/C22H27N5O2/c1-16-5-2-3-7-19(16)26-11-13-27(14-12-26)21-17(6-4-10-23-21)15-24-22(29)18-8-9-20(28)25-18/h2-7,10,18H,8-9,11-15H2,1H3,(H,24,29)(H,25,28)/p+1/t18-/m1/s1