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

Systemtic Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C26H26ClN4O3+ MolecularWeight: 477.96264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C26H25ClN4O3/c1-16-8-7-13-29(15-16)23-22(24(32)30(26(23)34)19-10-4-3-5-11-19)21-17(2)28-31(25(21)33)20-12-6-9-18(27)14-20/h6-9,12-15,19H,3-5,10-11H2,1-2H3/p+1