N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-keto-1H-pyridine-3-carboxamide Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C20H20N4O2/c1-24(14-15-6-3-2-4-7-15)19-16(8-5-11-21-19)12-23-20(26)17-9-10-18(25)22-13-17/h2-11,13H,12,14H2,1H3,(H,22,25)(H,23,26)/p+1