3-[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3,4-dimethylpyridin-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-(3,4-dimethylpyridin-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-(3,4-dimethylpyridin-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-(3,4-dimethyl-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-(3,4-dimethylpyridin-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-(3,4-dimethylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H28ClN4O3+ MolecularWeight: 491.98922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN4O3/c1-16-12-13-30(15-17(16)2)24-23(25(33)31(27(24)35)20-9-5-4-6-10-20)22-18(3)29-32(26(22)34)21-11-7-8-19(28)14-21/h7-8,11-15,20H,4-6,9-10H2,1-3H3/p+1