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

Systemtic Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H24ClN4O3+ MolecularWeight: 499.96816

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

InChI

InChI=1S/C28H23ClN4O3/c1-4-22-23(27(35)33(30-22)20-10-6-5-7-11-20)24-25(31-15-17(2)13-18(3)16-31)28(36)32(26(24)34)21-12-8-9-19(29)14-21/h5-16H,4H2,1-3H3/p+1