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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C23H21Cl2N4O3+ MolecularWeight: 472.34384

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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)Cl)C

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)Cl)C

InChI

InChI=1S/C23H20Cl2N4O3/c1-4-9-28-21(30)19(20(23(28)32)27-10-5-6-13(2)12-27)18-14(3)26-29(22(18)31)15-7-8-16(24)17(25)11-15/h5-8,10-12H,4,9H2,1-3H3/p+1