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

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

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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=CC(=C5)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=CC(=C5)C

InChI

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