1-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]pyridin-4-one

Systemtic Name: 1-[(3-piperazin-4-ium-1-ylcarbonylphenyl)methyl]pyridin-4-one Openeye Name: 1-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]pyridin-4-one CAS Name: 1-[[3-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methyl]-4-pyridinone IUPAC Name: 1-[[3-(piperazin-4-ium-1-carbonyl)phenyl]methyl]pyridin-4-one Traditional Name: 1-[3-(piperazin-4-ium-1-carbonyl)benzyl]-4-pyridone Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)CN3C=CC(=O)C=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)CN3C=CC(=O)C=C3

InChI

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