1-(4-methylphenyl)-3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(4-methylphenyl)-3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-(p-tolyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(4-methylphenyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(4-methylphenyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-(p-tolyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+]5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-3-10-22-23(27(34)32(29-22)21-11-6-4-7-12-21)24-25(30-17-8-5-9-18-30)28(35)31(26(24)33)20-15-13-19(2)14-16-20/h4-9,11-18H,3,10H2,1-2H3/p+1