N-(4-methylphenyl)-2-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C19H22N4O3/c1-14-4-6-15(7-5-14)21-17(24)13-22-9-11-23(12-10-22)19(26)16-3-2-8-20-18(16)25/h2-8H,9-13H2,1H3,(H,20,25)(H,21,24)/p+1