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

Systemtic Name: 3-[4-[(E)-indol-3-ylidenemethyl]-5-oxidanylidene-1,2-dihydropyrazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[4-[(E)-3-indolylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[4-[(E)-indol-3-ylidenemethyl]-5-keto-3-pyrazolin-3-yl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C22H17N4O3+ MolecularWeight: 385.39538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=C(C(=O)NN3)C=C4C=NC5=CC=CC=C54)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=C(C(=O)NN3)/C=C\4/C=NC5=CC=CC=C54)O

InChI

InChI=1S/C22H16N4O3/c1-26-17-9-5-3-7-14(17)20(27)18(22(26)29)19-15(21(28)25-24-19)10-12-11-23-16-8-4-2-6-13(12)16/h2-11,18H,1H3,(H2,23,24,25,28)/p+1