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

InChI

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