[2-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-oxidanylidene-ethyl]azanium bromide

Systemtic Name: [2-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-oxidanylidene-ethyl]azanium bromide Openeye Name: [2-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-oxo-ethyl]ammonium bromide CAS Name: [2-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethylamino]-2-oxoethyl]ammonium bromide IUPAC Name: [2-[2-(2,2-dimethylpropanoylsulfanyl)ethylamino]-2-oxoethyl]azanium bromide Traditional Name: [2-keto-2-[2-(pivaloylthio)ethylamino]ethyl]ammonium bromide Formula: C9H19BrN2O2S MolecularWeight: 299.22836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCCNC(=O)C[NH3+].[Br-]

Isomeric SMILES

CC(C)(C)C(=O)SCCNC(=O)C[NH3+].[Br-]

InChI

InChI=1S/C9H18N2O2S.BrH/c1-9(2,3)8(13)14-5-4-11-7(12)6-10;/h4-6,10H2,1-3H3,(H,11,12);1H