3-[2-(4-bromanylphenoxy)ethanoyloxy]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethanoyloxy]propyl-dimethyl-azanium chloride Openeye Name: 3-[2-(4-bromophenoxy)acetyl]oxypropyl-dimethyl-ammonium chloride CAS Name: 3-[2-(4-bromophenoxy)-1-oxoethoxy]propyl-dimethylammonium chloride IUPAC Name: 3-[2-(4-bromophenoxy)acetyl]oxypropyl-dimethylazanium chloride Traditional Name: 3-[2-(4-bromophenoxy)acetyl]oxypropyl-dimethyl-ammonium chloride Formula: C13H19BrClNO3 MolecularWeight: 352.65186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC(=O)COC1=CC=C(C=C1)Br.[Cl-]

Isomeric SMILES

C[NH+](C)CCCOC(=O)COC1=CC=C(C=C1)Br.[Cl-]

InChI

InChI=1S/C13H18BrNO3.ClH/c1-15(2)8-3-9-17-13(16)10-18-12-6-4-11(14)5-7-12;/h4-7H,3,8-10H2,1-2H3;1H