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

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

Click to see the large picture

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=C(C=C4)F)[N+]5=CC=CC(=C5)C

Isomeric SMILES

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

InChI

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