trimethyl-[2-[(2R)-3-oxidanyl-2-phenyl-propanoyl]oxyethyl]azanium bromide

Systemtic Name: trimethyl-[2-[(2R)-3-oxidanyl-2-phenyl-propanoyl]oxyethyl]azanium bromide Openeye Name: 2-[(2R)-3-hydroxy-2-phenyl-propanoyl]oxyethyl-trimethyl-ammonium bromide CAS Name: 2-[(2R)-3-hydroxy-1-oxo-2-phenylpropoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[(2R)-3-hydroxy-2-phenylpropanoyl]oxyethyl-trimethylazanium bromide Traditional Name: 2-[(2R)-3-hydroxy-2-phenyl-propanoyl]oxyethyl-trimethyl-ammonium bromide Formula: C14H22BrNO3 MolecularWeight: 332.23338

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)C(CO)C1=CC=CC=C1.[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)[C@@H](CO)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C14H22NO3.BrH/c1-15(2,3)9-10-18-14(17)13(11-16)12-7-5-4-6-8-12;/h4-8,13,16H,9-11H2,1-3H3;1H/q+1;/p-1/t13-;/m0./s1