4,5-dimethyl-3-phenethyl-3H-1,3-thiazol-3-ium-2-one bromide

Systemtic Name: 4,5-dimethyl-3-phenethyl-3H-1,3-thiazol-3-ium-2-one bromide Openeye Name: 4,5-dimethyl-3-phenethyl-3H-thiazol-3-ium-2-one bromide CAS Name: 4,5-dimethyl-3-phenethyl-3H-thiazol-3-ium-2-one bromide IUPAC Name: 4,5-dimethyl-3-phenethyl-3H-1,3-thiazol-3-ium-2-one bromide Traditional Name: 4,5-dimethyl-3-phenethyl-4-thiazolin-3-ium-2-one bromide Formula: C13H16BrNOS MolecularWeight: 314.24124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)[NH+]1CCC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=C(SC(=O)[NH+]1CCC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C13H15NOS.BrH/c1-10-11(2)16-13(15)14(10)9-8-12-6-4-3-5-7-12;/h3-7H,8-9H2,1-2H3;1H