(2R)-3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2R)-3-[4-(4-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2R)-2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: (2R)-2-hydroxy-3-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: (2R)-2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: (2R)-2-hydroxy-3-[4-(4-hydroxybenzoyl)piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C14H20N2O6S MolecularWeight: 344.3834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CS(=O)(=O)[O-])O)C(=O)C2=CC=C(C=C2)O

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CS(=O)(=O)[O-])O)C(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H20N2O6S/c17-12-3-1-11(2-4-12)14(19)16-7-5-15(6-8-16)9-13(18)10-23(20,21)22/h1-4,13,17-18H,5-10H2,(H,20,21,22)/t13-/m1/s1