4,5-dihydro-1,3-thiazol-2-yl-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-(phenylmethyl)azanium bromide

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-yl-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-(phenylmethyl)azanium bromide Openeye Name: benzyl-(4,5-dihydrothiazol-2-yl)-[2-oxo-2-(2-thienyl)ethyl]ammonium bromide CAS Name: 4,5-dihydrothiazol-2-yl-(2-oxo-2-thiophen-2-ylethyl)-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-(4,5-dihydro-1,3-thiazol-2-yl)-(2-oxo-2-thiophen-2-ylethyl)azanium bromide Traditional Name: benzyl-[2-keto-2-(2-thienyl)ethyl]-(2-thiazolin-2-yl)ammonium bromide Formula: C16H17BrN2OS2 MolecularWeight: 397.35298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)[NH+](CC2=CC=CC=C2)CC(=O)C3=CC=CS3.[Br-]

Isomeric SMILES

C1CSC(=N1)[NH+](CC2=CC=CC=C2)CC(=O)C3=CC=CS3.[Br-]

InChI

InChI=1S/C16H16N2OS2.BrH/c19-14(15-7-4-9-20-15)12-18(16-17-8-10-21-16)11-13-5-2-1-3-6-13;/h1-7,9H,8,10-12H2;1H