4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C19H24FN2O5S+ MolecularWeight: 411.467663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN2O5S/c1-26-17-11-14(12-18(27-2)19(17)23)13-21-7-9-22(10-8-21)28(24,25)16-5-3-15(20)4-6-16/h3-6,11-12,23H,7-10,13H2,1-2H3/p+1