2-(4-ethylpiperazin-1-yl)ethanol; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate

Systemtic Name: 2-(4-ethylpiperazin-1-yl)ethanol; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Openeye Name: 2-(4-ethylpiperazin-1-yl)ethanol; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate CAS Name: 2-(4-ethyl-1-piperazinyl)ethanol; 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethanesulfonate IUPAC Name: 2-(4-ethylpiperazin-1-yl)ethanol; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Traditional Name: 2-(4-ethylpiperazino)ethanol; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Formula: C16H36N4O5S MolecularWeight: 396.54584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCO.C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CCO.C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-]

InChI

InChI=1S/C8H18N2O4S.C8H18N2O/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;1-2-9-3-5-10(6-4-9)7-8-11/h11H,1-8H2,(H,12,13,14);11H,2-8H2,1H3