trimethyl-[3-[2-[2-(phenylmethylsulfanyl)phenyl]ethanoyloxy]propyl]azanium iodide

Systemtic Name: trimethyl-[3-[2-[2-(phenylmethylsulfanyl)phenyl]ethanoyloxy]propyl]azanium iodide Openeye Name: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethyl-ammonium iodide CAS Name: trimethyl-[3-[1-oxo-2-[2-(phenylmethylthio)phenyl]ethoxy]propyl]ammonium iodide IUPAC Name: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium iodide Traditional Name: 3-[2-[2-(benzylthio)phenyl]acetyl]oxypropyl-trimethyl-ammonium iodide Formula: C21H28INO2S MolecularWeight: 485.42199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)CC1=CC=CC=C1SCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)CC1=CC=CC=C1SCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C21H28NO2S.HI/c1-22(2,3)14-9-15-24-21(23)16-19-12-7-8-13-20(19)25-17-18-10-5-4-6-11-18;/h4-8,10-13H,9,14-17H2,1-3H3;1H/q+1;/p-1