5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-(4-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C17H18ClN3O2/c18-15-4-1-13(2-5-15)12-20-7-9-21(10-8-20)17(23)14-3-6-16(22)19-11-14/h1-6,11H,7-10,12H2,(H,19,22)/p+1