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

Systemtic Name: 3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-fluorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C25H26FN4O3+ MolecularWeight: 449.497343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C25H25FN4O3/c1-15(2)14-29-23(31)20(22(25(29)33)28-12-6-5-7-13-28)19-21(16(3)4)27-30(24(19)32)18-10-8-17(26)9-11-18/h5-13,15-16H,14H2,1-4H3/p+1