2-[bis(2-hydroxyethyl)amino]ethanesulfonate; 2-hydroxyethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanesulfonate; 2-hydroxyethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-[bis(2-hydroxyethyl)amino]ethanesulfonate CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanesulfonate; 2-hydroxyethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-dimethylazanium; 2-[bis(2-hydroxyethyl)amino]ethanesulfonate Traditional Name: benzyl-(2-hydroxyethyl)-dimethyl-ammonium; 2-[bis(2-hydroxyethyl)amino]ethanesulfonate Formula: C17H32N2O6S MolecularWeight: 392.51078

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCO)CC1=CC=CC=C1.C(CO)N(CCO)CCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCO)CC1=CC=CC=C1.C(CO)N(CCO)CCS(=O)(=O)[O-]

InChI

InChI=1S/C11H18NO.C6H15NO5S/c1-12(2,8-9-13)10-11-6-4-3-5-7-11;8-4-1-7(2-5-9)3-6-13(10,11)12/h3-7,13H,8-10H2,1-2H3;8-9H,1-6H2,(H,10,11,12)/q+1;/p-1