2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanol tosylate Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCO

InChI

InChI=1S/C11H14NO2S.C7H8O3S/c1-8-12(5-6-13)10-7-9(14-2)3-4-11(10)15-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7,13H,5-6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1