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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone bromide Formula: C12H14BrNO2S2 MolecularWeight: 348.27906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCO.[Br-]

InChI

InChI=1S/C12H14NO2S2.BrH/c1-9-11(4-5-14)17-8-13(9)7-10(15)12-3-2-6-16-12;/h2-3,6,8,14H,4-5,7H2,1H3;1H/q+1;/p-1