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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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