3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C27H23N4O3+ MolecularWeight: 451.49652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC(=C3)C)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC(=C3)C)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-17-11-13-20(14-12-17)31-26(33)22(24(27(31)34)30-15-7-8-18(2)16-30)21-23(28-29(3)25(21)32)19-9-5-4-6-10-19/h4-16H,1-3H3/p+1