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

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C28H24N4O3/c1-3-22-23(27(34)32(29-22)21-14-8-5-9-15-21)24-25(30-16-10-11-19(2)17-30)28(35)31(26(24)33)18-20-12-6-4-7-13-20/h4-17H,3,18H2,1-2H3/p+1