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

InChI

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