3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-methoxyphenyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C28H25N4O4+ MolecularWeight: 481.5225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H24N4O4/c1-17-14-18(2)16-30(15-17)25-24(23-19(3)29-32(27(23)34)21-8-6-5-7-9-21)26(33)31(28(25)35)20-10-12-22(36-4)13-11-20/h5-16H,1-4H3/p+1