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

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C29H27N4O4+ MolecularWeight: 495.54908

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-5-23-24(28(35)33(30-23)21-9-7-6-8-10-21)25-26(31-16-15-18(2)19(3)17-31)29(36)32(27(25)34)20-11-13-22(37-4)14-12-20/h6-17H,5H2,1-4H3/p+1