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

Systemtic Name: dimethyl-octyl-[[(1R,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-octyl-ammonium bromide CAS Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-octylammonium bromide IUPAC Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-octylazanium bromide Traditional Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-octyl-ammonium bromide Formula: C24H40BrNO2 MolecularWeight: 454.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40NO2.BrH/c1-4-5-6-7-8-14-19-25(2,3)20-22-17-12-13-18-23(22)27-24(26)21-15-10-9-11-16-21;/h9-11,15-16,22-23H,4-8,12-14,17-20H2,1-3H3;1H/q+1;/p-1/t22-,23-;/m1./s1