bis(2-hydroxyethyl)-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: bis(2-hydroxyethyl)-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: bis(2-hydroxyethyl)-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: bis(2-hydroxyethyl)-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: bis(2-hydroxyethyl)-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: bis(2-hydroxyethyl)-dimethyl-ammonium tosylate Formula: C13H23NO5S MolecularWeight: 305.39042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H16NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-7(2,3-5-8)4-6-9/h2-5H,1H3,(H,8,9,10);8-9H,3-6H2,1-2H3/q;+1/p-1