3-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxypropyl-diethyl-azanium bromide

Systemtic Name: 3-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxypropyl-diethyl-azanium bromide Openeye Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-diethyl-ammonium bromide CAS Name: 3-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)propyl-diethylammonium bromide IUPAC Name: 3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-diethylazanium bromide Traditional Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-diethyl-ammonium bromide Formula: C21H34BrNO3 MolecularWeight: 428.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC[NH+](CC)CCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H33NO3.BrH/c1-3-22(4-2)16-11-17-25-20(23)21(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5,7-8,12-13,19,24H,3-4,6,9-11,14-17H2,1-2H3;1H