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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3/c1-4-22-23(27(34)32(29-22)21-13-9-6-10-14-21)24-25(30-16-18(2)15-19(3)17-30)28(35)31(26(24)33)20-11-7-5-8-12-20/h5-17H,4H2,1-3H3/p+1