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

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-1-[(4-fluorophenyl)methyl]-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-1-(4-fluorobenzyl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H24FN4O3+ MolecularWeight: 483.513563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C28H23FN4O3/c1-3-18-8-7-15-32(16-18)25-23(22-24(30-31(2)26(22)34)20-9-5-4-6-10-20)27(35)33(28(25)36)17-19-11-13-21(29)14-12-19/h4-16H,3,17H2,1-2H3/p+1