[3-[3-(4-chlorophenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanylidene-3H-quinolin-1-ium-4-yl] ethanoate

Systemtic Name: [3-[3-(4-chlorophenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanylidene-3H-quinolin-1-ium-4-yl] ethanoate Openeye Name: [3-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] acetate CAS Name: acetic acid [3-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] ester IUPAC Name: [3-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] acetate Traditional Name: acetic acid [3-[1-acetyl-5-(4-chlorophenyl)-2-pyrazolin-3-yl]-2-keto-1-methyl-3H-quinolin-1-ium-4-yl] ester Formula: C23H21ClN3O4+ MolecularWeight: 438.88354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2C(=C3C=CC=CC3=[N+](C2=O)C)OC(=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2C(=C3C=CC=CC3=[N+](C2=O)C)OC(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN3O4/c1-13(28)27-20(15-8-10-16(24)11-9-15)12-18(25-27)21-22(31-14(2)29)17-6-4-5-7-19(17)26(3)23(21)30/h4-11,20-21H,12H2,1-3H3/q+1