2-(methylamino)-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide

Systemtic Name: 2-(methylamino)-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyridine-4-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridine-4-carboxamide CAS Name: 2-(methylamino)-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-pyridinecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(methylamino)pyridine-4-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(methylamino)isonicotinamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CNC1=NC=CC(=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O/c1-22-19-13-17(10-12-23-19)21(27)25-14-18-9-6-11-24-20(18)26(2)15-16-7-4-3-5-8-16/h3-13H,14-15H2,1-2H3,(H,22,23)(H,25,27)/p+1