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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO3S.BrH/c1-11-15(7-8-17)20-10-16(11)9-14(18)12-3-5-13(19-2)6-4-12;/h3-6,10,17H,7-9H2,1-2H3;1H/q+1;/p-1