3-[3-(4-dimethylaminophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(4-dimethylaminophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(4-dimethylaminophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(4-dimethylaminophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(4-dimethylaminophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(4-dimethylaminophenyl)-1-phenyl-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5)O

InChI

InChI=1S/C27H26N4O2/c1-29(2)19-15-13-18(14-16-19)24-17-22(28-31(24)20-9-5-4-6-10-20)25-26(32)21-11-7-8-12-23(21)30(3)27(25)33/h4-16,24-25H,17H2,1-3H3/p+1