benzenesulfonate; 2-[2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethoxy]ethanol

Systemtic Name: benzenesulfonate; 2-[2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethoxy]ethanol Openeye Name: benzenesulfonate; 2-[2-(4-methylthiazol-3-ium-3-yl)ethoxy]ethanol CAS Name: benzenesulfonate; 2-[2-(4-methyl-3-thiazol-3-iumyl)ethoxy]ethanol IUPAC Name: benzenesulfonate; 2-[2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethoxy]ethanol Traditional Name: 2-[2-(4-methylthiazol-3-ium-3-yl)ethoxy]ethanol besylate Formula: C14H19NO5S2 MolecularWeight: 345.43436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=[N+]1CCOCCO.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CSC=[N+]1CCOCCO.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H14NO2S.C6H6O3S/c1-8-6-12-7-9(8)2-4-11-5-3-10;7-10(8,9)6-4-2-1-3-5-6/h6-7,10H,2-5H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1