3-[2-(4-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H19ClFN4O3+ MolecularWeight: 489.905463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H18ClFN4O3/c1-2-19-21(25(34)32(29-19)17-12-10-16(27)11-13-17)22-23(30-14-6-3-7-15-30)26(35)31(24(22)33)20-9-5-4-8-18(20)28/h3-15H,2H2,1H3/p+1