4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-pyrazol-1-ium

Systemtic Name: 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfonylphenyl)-1-oxidanyl-pyrazol-1-ium Openeye Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-ium CAS Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-ium IUPAC Name: 4-(4-fluorophenyl)-1-hydroxy-1-methyl-3-(4-methylsulfonylphenyl)pyrazol-1-ium Traditional Name: 4-(4-fluorophenyl)-1-hydroxy-3-(4-mesylphenyl)-1-methyl-pyrazol-1-ium Formula: C17H16FN2O3S+ MolecularWeight: 347.383943

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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=C(C=C3)F)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN2O3S/c1-20(21)11-16(12-3-7-14(18)8-4-12)17(19-20)13-5-9-15(10-6-13)24(2,22)23/h3-11,21H,1-2H3/q+1