3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)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-(2-methylpropyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)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-(2-methylpropyl)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-(2-methylpropyl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-15(2)12-28-23(30)21(22(25(28)32)27-13-16(3)11-17(4)14-27)20-18(5)26-29(24(20)31)19-9-7-6-8-10-19/h6-11,13-15H,12H2,1-5H3/p+1