2-azanylethanesulfonic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate

Systemtic Name: 2-azanylethanesulfonic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Openeye Name: 2-aminoethanesulfonic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate CAS Name: 2-aminoethanesulfonic acid; 2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]ethanesulfonate IUPAC Name: 2-aminoethanesulfonic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Traditional Name: 2-aminoethanesulfonic acid; 2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate Formula: C10H25N3O7S2 MolecularWeight: 363.4514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].C(CS(=O)(=O)O)N

Isomeric SMILES

C1CN(CC[NH+]1CCO)CCS(=O)(=O)[O-].C(CS(=O)(=O)O)N

InChI

InChI=1S/C8H18N2O4S.C2H7NO3S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;3-1-2-7(4,5)6/h11H,1-8H2,(H,12,13,14);1-3H2,(H,4,5,6)