[2,2-dimethyl-3-(3-oxidanyl-2-phenyl-propanoyl)oxy-propyl]-triethyl-azanium bromide

Systemtic Name: [2,2-dimethyl-3-(3-oxidanyl-2-phenyl-propanoyl)oxy-propyl]-triethyl-azanium bromide Openeye Name: triethyl-[3-(3-hydroxy-2-phenyl-propanoyl)oxy-2,2-dimethyl-propyl]ammonium bromide CAS Name: triethyl-[3-(3-hydroxy-1-oxo-2-phenylpropoxy)-2,2-dimethylpropyl]ammonium bromide IUPAC Name: triethyl-[3-(3-hydroxy-2-phenylpropanoyl)oxy-2,2-dimethylpropyl]azanium bromide Traditional Name: (2,2-dimethyl-3-tropoyloxy-propyl)-triethyl-ammonium bromide Formula: C20H34BrNO3 MolecularWeight: 416.39286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34NO3.BrH/c1-6-21(7-2,8-3)15-20(4,5)16-24-19(23)18(14-22)17-12-10-9-11-13-17;/h9-13,18,22H,6-8,14-16H2,1-5H3;1H/q+1;/p-1