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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-propyl-pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propylpyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propylpyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-propyl-3-pyrroline-2,5-quinone Formula: C24H24FN4O3+ MolecularWeight: 435.470763

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=CC(=C2)C)C)C3=C(NN(C3=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=CC(=C2)C)C)C3=C(NN(C3=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H23FN4O3/c1-5-10-28-22(30)20(21(24(28)32)27-12-14(2)11-15(3)13-27)19-16(4)26-29(23(19)31)18-8-6-17(25)7-9-18/h6-9,11-13H,5,10H2,1-4H3/p+1