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

Systemtic Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2R)-5-keto-N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]pyrrolidine-2-carboxamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCC(=O)N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@H]4CCC(=O)N4

InChI

InChI=1S/C22H27N5O3/c1-30-19-7-3-2-6-18(19)26-11-13-27(14-12-26)21-16(5-4-10-23-21)15-24-22(29)17-8-9-20(28)25-17/h2-7,10,17H,8-9,11-15H2,1H3,(H,24,29)(H,25,28)/p+1/t17-/m1/s1