3-[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-methylpyridin-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-(4-methylpyridin-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-(4-methylpyridin-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-(4-methyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C23H22ClN4O3+ MolecularWeight: 437.89878

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21ClN4O3/c1-4-10-27-21(29)19(20(23(27)31)26-11-8-14(2)9-12-26)18-15(3)25-28(22(18)30)17-7-5-6-16(24)13-17/h5-9,11-13H,4,10H2,1-3H3/p+1