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

Systemtic Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H28FN4O3+ MolecularWeight: 475.534623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C27H27FN4O3/c1-2-9-21-22(26(34)32(29-21)20-14-12-18(28)13-15-20)23-24(30-16-7-4-8-17-30)27(35)31(25(23)33)19-10-5-3-6-11-19/h4,7-8,12-17,19H,2-3,5-6,9-11H2,1H3/p+1