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

Systemtic Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3-methylpyridin-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=CC(=C2)C)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)CC

Isomeric SMILES

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

InChI

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