3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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