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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)-1-phenyl-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C26H22N3O4+ MolecularWeight: 440.47058

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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=CC5=C(C=C4)OCO5)C6=CC=CC=C6)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)O

InChI

InChI=1S/C26H21N3O4/c1-28-20-10-6-5-9-18(20)25(30)24(26(28)31)19-14-21(29(27-19)17-7-3-2-4-8-17)16-11-12-22-23(13-16)33-15-32-22/h2-13,21,24H,14-15H2,1H3/p+1