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

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=C(C=C2)C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC(=C(C=C2)C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H24N4O3/c1-5-12-27-22(29)20(21(24(27)31)26-13-11-15(2)16(3)14-26)19-17(4)25-28(23(19)30)18-9-7-6-8-10-18/h6-11,13-14H,5,12H2,1-4H3/p+1