2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-morpholino-ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(4-morpholinyl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-ylethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-morpholino-ethanone bromide Formula: C11H17BrN2O2S MolecularWeight: 321.23388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCOCC2)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCOCC2)C.[Br-]

InChI

InChI=1S/C11H17N2O2S.BrH/c1-9-10(2)16-8-13(9)7-11(14)12-3-5-15-6-4-12;/h8H,3-7H2,1-2H3;1H/q+1;/p-1