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

Systemtic Name: 2-(2-cyclohexyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(2-cyclohexyl-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(2-cyclohexyl-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-(2-cyclohexyl-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1