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

Systemtic Name: (3-methoxyphenyl)-[3-oxidanyl-3-pyridin-1-ium-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [3-hydroxy-3-pyridin-1-ium-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methoxyphenyl)methanone CAS Name: [3-hydroxy-3-(3-pyridin-1-iumyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methoxyphenyl)methanone IUPAC Name: [3-hydroxy-3-pyridin-1-ium-3-yl-5-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-methoxyphenyl)methanone Traditional Name: [5-hydroxy-5-pyridin-1-ium-3-yl-3-(trifluoromethyl)-3-pyrazolin-1-yl]-(3-methoxyphenyl)methanone Formula: C17H15F3N3O3+ MolecularWeight: 366.31451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C3=C[NH+]=CC=C3)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(C=C(N2)C(F)(F)F)(C3=C[NH+]=CC=C3)O

InChI

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