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

Systemtic Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C24H24ClN4O3+ MolecularWeight: 451.92536

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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)Cl)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)Cl)C

InChI

InChI=1S/C24H23ClN4O3/c1-5-10-28-22(30)20(21(24(28)32)27-11-9-14(2)15(3)13-27)19-16(4)26-29(23(19)31)18-8-6-7-17(25)12-18/h6-9,11-13H,5,10H2,1-4H3/p+1