N-(4-methylphenyl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(6-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=CNC(=O)C=C3

Isomeric SMILES

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

InChI

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