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

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridin-2-one CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyridin-2-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-pyridone Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c21-16-7-6-15(12-18-16)17(22)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,18,21)/p+1