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

Systemtic Name: benzenesulfonate; 2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethanol Openeye Name: benzenesulfonate; 2-(4-methylthiazol-3-ium-3-yl)ethanol CAS Name: benzenesulfonate; 2-(4-methyl-3-thiazol-3-iumyl)ethanol IUPAC Name: benzenesulfonate; 2-(4-methyl-1,3-thiazol-3-ium-3-yl)ethanol Traditional Name: 2-(4-methylthiazol-3-ium-3-yl)ethanol besylate Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10NOS.C6H6O3S/c1-6-4-9-5-7(6)2-3-8;7-10(8,9)6-4-2-1-3-5-6/h4-5,8H,2-3H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1