[3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride

Systemtic Name: [3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride Openeye Name: [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-yl-methanone chloride CAS Name: [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-pyridin-1-iumyl)methanone chloride IUPAC Name: [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-1-ium-2-ylmethanone chloride Traditional Name: [5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-pyridin-1-ium-2-yl-methanone chloride Formula: C17H15ClF3N3O3 MolecularWeight: 401.76751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CC=[NH+]3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)C3=CC=CC=[NH+]3.[Cl-]

InChI

InChI=1S/C17H14F3N3O3.ClH/c1-26-12-7-5-11(6-8-12)14-10-16(25,17(18,19)20)23(22-14)15(24)13-4-2-3-9-21-13;/h2-9,25H,10H2,1H3;1H