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

Systemtic Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C26H20ClN4O3+ MolecularWeight: 471.915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN4O3/c1-16-8-7-13-30(15-16)23-21(25(33)31(26(23)34)19-12-6-11-18(27)14-19)20-22(28-29(2)24(20)32)17-9-4-3-5-10-17/h3-15H,1-2H3/p+1