2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C21H34BrNO3 MolecularWeight: 428.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1