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

Systemtic Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H28ClN4O3+ MolecularWeight: 491.98922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

InChI

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