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

Systemtic Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C26H26FN4O3+ MolecularWeight: 461.508043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN4O3/c1-16-12-14-29(15-13-16)23-22(24(32)30(26(23)34)19-6-4-3-5-7-19)21-17(2)28-31(25(21)33)20-10-8-18(27)9-11-20/h8-15,19H,3-7H2,1-2H3/p+1