(3S)-1-(4-methylphenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-18-7-9-22(10-8-18)27-17-20(15-23(27)28)24(29)25-21-11-13-26(14-12-21)16-19-5-3-2-4-6-19/h2-10,20-21H,11-17H2,1H3,(H,25,29)/p+1/t20-/m0/s1