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

Systemtic Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-(4-fluorophenyl)-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:

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

InChI

InChI=1S/C28H23FN4O3/c1-4-21-23(27(35)33(30-21)22-10-8-9-17(2)18(22)3)24-25(31-15-6-5-7-16-31)28(36)32(26(24)34)20-13-11-19(29)12-14-20/h5-16H,4H2,1-3H3/p+1