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

Systemtic Name: methyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]ethanoate bromide Openeye Name: methyl 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetate bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]acetate bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]acetic acid methyl ester bromide Formula: C9H14BrNO3S MolecularWeight: 296.18136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14NO3S.BrH/c1-7-8(3-4-11)14-6-10(7)5-9(12)13-2;/h6,11H,3-5H2,1-2H3;1H/q+1;/p-1