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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-2-thiazol-3-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO3S.BrH/c1-10-14(7-8-17)20-15(16-10)9-13(18)11-3-5-12(19-2)6-4-11;/h3-6,17H,7-9H2,1-2H3;1H