(2S)-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-5-keto-pyrrolidine-2-carboxamide Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3CCC(=O)N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)[C@@H]3CCC(=O)N3

InChI

InChI=1S/C19H22N4O2/c1-23(13-14-6-3-2-4-7-14)18-15(8-5-11-20-18)12-21-19(25)16-9-10-17(24)22-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,21,25)(H,22,24)/p+1/t16-/m0/s1