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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H21FN4O3/c1-17-7-6-14-31(15-17)24-22(21-23(29-30(2)25(21)33)19-8-4-3-5-9-19)26(34)32(27(24)35)16-18-10-12-20(28)13-11-18/h3-15H,16H2,1-2H3/p+1