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

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-isobutyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-isobutyl-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-15(2)13-27-22(29)20(21(24(27)31)26-12-8-9-16(3)14-26)19-17(4)25-28(23(19)30)18-10-6-5-7-11-18/h5-12,14-15H,13H2,1-4H3/p+1