3-[2-(3,4-dichlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-1-propan-2-yl-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-propan-2-yl-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-isopropyl-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-propan-2-ylpyrrole-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-propan-2-ylpyrrole-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-isopropyl-3-pyrroline-2,5-quinone Formula: C25H25Cl2N4O3+ MolecularWeight: 500.397

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C(C)C)C3=C(NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)CC

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C(C)C)C3=C(NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)CC

InChI

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