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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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