2-[2-(1-hydroxyethyl)-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-(1-hydroxyethyl)-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-(1-hydroxyethyl)thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-(1-hydroxyethyl)-3-thiazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-(1-hydroxyethyl)-1,3-thiazol-3-ium-3-yl]-1-phenylethanone bromide Traditional Name: 2-[2-(1-hydroxyethyl)thiazol-3-ium-3-yl]-1-phenyl-ethanone bromide Formula: C13H14BrNO2S MolecularWeight: 328.22476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC(C1=[N+](C=CS1)CC(=O)C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C13H14NO2S.BrH/c1-10(15)13-14(7-8-17-13)9-12(16)11-5-3-2-4-6-11;/h2-8,10,15H,9H2,1H3;1H/q+1;/p-1