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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H22FN4O3+ MolecularWeight: 469.486983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)C4=C(NN(C4=O)C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)C4=C(NN(C4=O)C)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21FN4O3/c1-16-13-17(2)15-31(14-16)24-22(26(34)32(27(24)35)20-12-8-7-11-19(20)28)21-23(29-30(3)25(21)33)18-9-5-4-6-10-18/h4-15H,1-3H3/p+1