4-[1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-5-(trifluoromethyl)pyrazol-1-ium-4-yl]pyridine

Systemtic Name: 4-[1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-5-(trifluoromethyl)pyrazol-1-ium-4-yl]pyridine Openeye Name: 4-[1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-ium-4-yl]pyridine CAS Name: 4-[1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4-pyrazol-1-iumyl]pyridine IUPAC Name: 4-[1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-ium-4-yl]pyridine Traditional Name: 4-[1-hydroxy-3-(4-mesylphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-1-ium-4-yl]pyridine Formula: C17H15F3N3O3S+ MolecularWeight: 398.37951

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F)O

Isomeric SMILES

C[N+]1(C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(F)(F)F)O

InChI

InChI=1S/C17H15F3N3O3S/c1-23(24)16(17(18,19)20)14(11-7-9-21-10-8-11)15(22-23)12-3-5-13(6-4-12)27(2,25)26/h3-10,24H,1-2H3/q+1