3-[2-ethanoyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[2-ethanoyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[2-acetyl-3-[(E)-styryl]-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[2-acetyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[2-acetyl-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[1-acetyl-5-[(E)-styryl]-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)C=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-15(27)26-17(13-12-16-8-4-3-5-9-16)14-19(24-26)21-22(28)18-10-6-7-11-20(18)25(2)23(21)29/h3-13,17,21H,14H2,1-2H3/p+1/b13-12+