3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-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-(4-methylphenyl)-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-(p-tolyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-(p-tolyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H24FN4O3+ MolecularWeight: 483.513563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C(C)C

InChI

InChI=1S/C28H23FN4O3/c1-17(2)24-22(27(35)33(30-24)21-13-9-19(29)10-14-21)23-25(31-15-5-4-6-16-31)28(36)32(26(23)34)20-11-7-18(3)8-12-20/h4-17H,1-3H3/p+1