(2R)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol

Systemtic Name: (2R)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Openeye Name: (2R)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol CAS Name: (2R)-3-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propane-1,2-diol IUPAC Name: (2R)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Traditional Name: (2R)-3-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propane-1,2-diol Formula: C13H20ClN2O4S+ MolecularWeight: 335.8269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CO)O)S(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CO)O)S(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H19ClN2O4S/c14-11-2-1-3-13(8-11)21(19,20)16-6-4-15(5-7-16)9-12(18)10-17/h1-3,8,12,17-18H,4-7,9-10H2/p+1/t12-/m1/s1