(2R)-1-(3-bromanylphenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(3-bromanylphenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C19H23BrFN2O4S+ MolecularWeight: 474.364323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22BrFN2O4S/c20-15-2-1-3-18(12-15)27-14-17(24)13-22-8-10-23(11-9-22)28(25,26)19-6-4-16(21)5-7-19/h1-7,12,17,24H,8-11,13-14H2/p+1/t17-/m1/s1