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

Systemtic Name: 5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 5-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 5-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1H-pyridin-2-one IUPAC Name: 5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 5-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CNC(=O)C=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C18H21N3O2/c1-14-4-2-3-5-16(14)13-20-8-10-21(11-9-20)18(23)15-6-7-17(22)19-12-15/h2-7,12H,8-11,13H2,1H3,(H,19,22)/p+1