3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-fluorophenyl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-(2-fluorophenyl)-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=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC(=C(C=C5)C)C

InChI

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