methyl 2-[5-(2-acetyloxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate bromide

Systemtic Name: methyl 2-[5-(2-acetyloxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate bromide Openeye Name: methyl 2-[5-(2-acetoxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetate bromide CAS Name: 2-[5-(2-acetyloxyethyl)-4-methyl-3-thiazol-3-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[5-(2-acetyloxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetate bromide Traditional Name: 2-[5-(2-acetoxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetic acid methyl ester bromide Formula: C11H16BrNO4S MolecularWeight: 338.21804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)OC)CCOC(=O)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)OC)CCOC(=O)C.[Br-]

InChI

InChI=1S/C11H16NO4S.BrH/c1-8-10(4-5-16-9(2)13)17-7-12(8)6-11(14)15-3;/h7H,4-6H2,1-3H3;1H/q+1;/p-1