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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(6-keto-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C18H19ClN4O3/c19-14-3-1-2-4-15(14)21-17(25)12-22-7-9-23(10-8-22)18(26)13-5-6-16(24)20-11-13/h1-6,11H,7-10,12H2,(H,20,24)(H,21,25)/p+1