2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl benzoate chloride

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl benzoate chloride Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethyl benzoate chloride CAS Name: benzoic acid 2-(4-methyl-5-thiazol-3-iumyl)ethyl ester chloride IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl benzoate chloride Traditional Name: benzoic acid 2-(4-methylthiazol-3-ium-5-yl)ethyl ester chloride Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H13NO2S.ClH/c1-10-12(17-9-14-10)7-8-16-13(15)11-5-3-2-4-6-11;/h2-6,9H,7-8H2,1H3;1H