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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H21FN4O3/c1-2-11-20-22(26(34)32(29-20)18-12-5-3-6-13-18)23-24(30-16-9-4-10-17-30)27(35)31(25(23)33)21-15-8-7-14-19(21)28/h3-10,12-17H,2,11H2,1H3/p+1