3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(m-tolyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-(m-tolyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H19Cl2N4O3+ MolecularWeight: 506.36006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18Cl2N4O3/c1-15-7-6-8-17(13-15)31-24(33)22(23(26(31)35)30-11-4-3-5-12-30)21-16(2)29-32(25(21)34)18-9-10-19(27)20(28)14-18/h3-14H,1-2H3/p+1