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

Systemtic Name: hexadecyl-dimethyl-[[(1R,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-hexadecyl-dimethyl-ammonium bromide CAS Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-hexadecyl-dimethylammonium bromide IUPAC Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-hexadecyl-dimethylazanium bromide Traditional Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-cetyl-dimethyl-ammonium bromide Formula: C32H56BrNO2 MolecularWeight: 566.69654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H56NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-33(2,3)28-30-25-20-21-26-31(30)35-32(34)29-23-18-17-19-24-29;/h17-19,23-24,30-31H,4-16,20-22,25-28H2,1-3H3;1H/q+1;/p-1/t30-,31-;/m1./s1