1-cyclohexyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-pyridin-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-pyridin-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-pyridin-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-(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-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C25H24FN4O3+ MolecularWeight: 447.481463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

InChI

InChI=1S/C25H23FN4O3/c1-16-20(24(32)30(27-16)19-12-10-17(26)11-13-19)21-22(28-14-6-3-7-15-28)25(33)29(23(21)31)18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9H2,1H3/p+1