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

Systemtic Name: 6-methyl-N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-methyl-pyridine-3-carboxamide CAS Name: 6-methyl-N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-6-methyl-nicotinamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NCC2=C([NH+]=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O/c1-16-10-11-19(14-23-16)21(26)24-13-18-9-6-12-22-20(18)25(2)15-17-7-4-3-5-8-17/h3-12,14H,13,15H2,1-2H3,(H,24,26)/p+1