1-methyl-3-[5-methyl-1-(phenylcarbonyl)pyrazol-3-yl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-3-[5-methyl-1-(phenylcarbonyl)pyrazol-3-yl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-(1-benzoyl-5-methyl-pyrazol-3-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-(1-benzoyl-5-methyl-3-pyrazolyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-(1-benzoyl-5-methylpyrazol-3-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-(1-benzoyl-5-methyl-pyrazol-3-yl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=CC=CC=C2)C3C(=O)C4=CC=CC=C4[N+](=C3O)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=CC=CC=C2)C3C(=O)C4=CC=CC=C4[N+](=C3O)C

InChI

InChI=1S/C21H17N3O3/c1-13-12-16(22-24(13)20(26)14-8-4-3-5-9-14)18-19(25)15-10-6-7-11-17(15)23(2)21(18)27/h3-12,18H,1-2H3/p+1