2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol; 4-methylbenzenesulfonate Openeye Name: 2-(3,4-dimethylthiazol-3-ium-5-yl)ethanol; 4-methylbenzenesulfonate CAS Name: 2-(3,4-dimethyl-5-thiazol-3-iumyl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethanol; 4-methylbenzenesulfonate Traditional Name: 2-(3,4-dimethylthiazol-3-ium-5-yl)ethanol tosylate Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12NOS.C7H8O3S/c1-6-7(3-4-9)10-5-8(6)2;1-6-2-4-7(5-3-6)11(8,9)10/h5,9H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1