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

Systemtic Name: 3-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H20ClN4O3+ MolecularWeight: 423.8722

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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)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)C

InChI

InChI=1S/C22H19ClN4O3/c1-3-11-26-20(28)18(19(22(26)30)25-12-5-4-6-13-25)17-14(2)24-27(21(17)29)16-9-7-15(23)8-10-16/h4-10,12-13H,3,11H2,1-2H3/p+1