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

Systemtic Name: trimethyl-[3-[2-[2-(phenylmethylsulfanyl)phenyl]ethanoyloxy]propyl]azanium Openeye Name: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethyl-ammonium CAS Name: trimethyl-[3-[1-oxo-2-[2-(phenylmethylthio)phenyl]ethoxy]propyl]ammonium IUPAC Name: 3-[2-(2-benzylsulfanylphenyl)acetyl]oxypropyl-trimethylazanium Traditional Name: 3-[2-[2-(benzylthio)phenyl]acetyl]oxypropyl-trimethyl-ammonium Formula: C21H28NO2S+ MolecularWeight: 358.51752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28NO2S/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/q+1