(2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2S)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propane-1-sulfonate CAS Name: (2S)-2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-1-propanesulfonate IUPAC Name: (2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propane-1-sulfonate Traditional Name: (2S)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propane-1-sulfonate Formula: C9H21N2O5S+ MolecularWeight: 269.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)C[C@@H](CS(=O)(=O)[O-])O

InChI

InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)/p+1/t9-/m0/s1