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

Systemtic Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-isopropyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C23H22FN4O3+ MolecularWeight: 421.444183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O3/c1-13(2)27-21(29)19(20(23(27)31)26-11-5-6-14(3)12-26)18-15(4)25-28(22(18)30)17-9-7-16(24)8-10-17/h5-13H,1-4H3/p+1