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

Systemtic Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H22ClN4O3+ MolecularWeight: 485.94158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O3/c1-16-12-17(2)15-31(14-16)24-22(26(34)32(27(24)35)20-11-7-10-19(28)13-20)21-23(29-30(3)25(21)33)18-8-5-4-6-9-18/h4-15H,1-3H3/p+1