hexyl-dimethyl-[[(1S,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide

Systemtic Name: hexyl-dimethyl-[[(1S,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethyl-ammonium bromide CAS Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethylammonium bromide IUPAC Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethylazanium bromide Traditional Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethyl-ammonium bromide Formula: C22H36BrNO2 MolecularWeight: 426.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C)CC1CCCCC1OC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCC[N+](C)(C)C[C@@H]1CCCC[C@H]1OC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C22H36NO2.BrH/c1-4-5-6-12-17-23(2,3)18-20-15-10-11-16-21(20)25-22(24)19-13-8-7-9-14-19;/h7-9,13-14,20-21H,4-6,10-12,15-18H2,1-3H3;1H/q+1;/p-1/t20-,21+;/m0./s1