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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H25FN4O3/c1-2-20-21(25(33)31(28-20)19-13-11-17(27)12-14-19)22-23(29-15-7-4-8-16-29)26(34)30(24(22)32)18-9-5-3-6-10-18/h4,7-8,11-16,18H,2-3,5-6,9-10H2,1H3/p+1