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

Systemtic Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,5-dimethyl-1-pyridin-1-iumyl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3,5-dimethylpyridin-1-ium-1-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C25H26ClN4O3+ MolecularWeight: 465.95194

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25ClN4O3/c1-5-11-29-23(31)21(22(25(29)33)28-13-15(3)12-16(4)14-28)20-19(6-2)27-30(24(20)32)18-9-7-17(26)8-10-18/h7-10,12-14H,5-6,11H2,1-4H3/p+1