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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H19Cl2N4O3+ MolecularWeight: 458.31726

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18Cl2N4O3/c1-3-9-27-20(29)18(19(22(27)31)26-10-5-4-6-11-26)17-13(2)25-28(21(17)30)14-7-8-15(23)16(24)12-14/h4-8,10-12H,3,9H2,1-2H3/p+1