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

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-(5-keto-3-methyl-1-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)C5=CC=CC=C5)C

Isomeric SMILES

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

InChI

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