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

Systemtic Name: 3-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxypropyl-diethyl-methyl-azanium bromide Openeye Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-diethyl-methyl-ammonium bromide CAS Name: 3-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)propyl-diethyl-methylammonium bromide IUPAC Name: 3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-diethyl-methylazanium bromide Traditional Name: 3-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxypropyl-diethyl-methyl-ammonium bromide Formula: C22H36BrNO3 MolecularWeight: 442.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO3.BrH/c1-4-23(3,5-2)17-12-18-26-21(24)22(25,19-13-8-6-9-14-19)20-15-10-7-11-16-20;/h6,8-9,13-14,20,25H,4-5,7,10-12,15-18H2,1-3H3;1H/q+1;/p-1