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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4/c1-4-18-9-8-16-31(17-18)25-23(22-24(29-30(2)26(22)33)19-10-6-5-7-11-19)27(34)32(28(25)35)20-12-14-21(36-3)15-13-20/h5-17H,4H2,1-3H3/p+1