3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid hydrate

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid hydrate Openeye Name: 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid hydrate CAS Name: 2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propanesulfonic acid hydrate IUPAC Name: 2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid hydrate Traditional Name: 2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propane-1-sulfonic acid hydrate Formula: C9H22N2O6S MolecularWeight: 286.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC(CS(=O)(=O)O)O.O

Isomeric SMILES

C1CN(CCN1CCO)CC(CS(=O)(=O)O)O.O

InChI

InChI=1S/C9H20N2O5S.H2O/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);1H2