N-[[2-[methyl-(phenylmethyl)amino]pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

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