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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C25H25Cl2N4O3+ MolecularWeight: 500.397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N4O3/c1-4-11-30-23(32)21(22(25(30)34)29-12-9-15(5-2)10-13-29)20-19(6-3)28-31(24(20)33)16-7-8-17(26)18(27)14-16/h7-10,12-14H,4-6,11H2,1-3H3/p+1