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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(6-keto-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-14-4-3-5-15(2)19(14)22-18(26)13-23-8-10-24(11-9-23)20(27)16-6-7-17(25)21-12-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,25)(H,22,26)/p+1