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

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyridin-2-yl-ethanamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-(2-pyridinyl)acetamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyridin-2-ylacetamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3

InChI

InChI=1S/C21H22N4O/c1-25(16-17-8-3-2-4-9-17)21-18(10-7-13-23-21)15-24-20(26)14-19-11-5-6-12-22-19/h2-13H,14-16H2,1H3,(H,24,26)/p+1