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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC(=CC(=C4)C)C

InChI

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