3-[2-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-methylphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-(m-tolyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

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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=C(C=C(C=C5)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3/c1-17-9-8-10-21(16-17)31-26(33)24(25(28(31)35)30-13-6-5-7-14-30)23-20(4)29-32(27(23)34)22-12-11-18(2)15-19(22)3/h5-16H,1-4H3/p+1