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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-1-(m-tolyl)-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)C)C)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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