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

Systemtic Name: icosyl-dimethyl-[[(1R,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-icosyl-dimethyl-ammonium bromide CAS Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-eicosyl-dimethylammonium bromide IUPAC Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-icosyl-dimethylazanium bromide Traditional Name: arachyl-[[(1R,2R)-2-benzoyloxycyclohexyl]methyl]-dimethyl-ammonium bromide Formula: C36H64BrNO2 MolecularWeight: 622.80286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H64NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-31-37(2,3)32-34-29-24-25-30-35(34)39-36(38)33-27-22-21-23-28-33;/h21-23,27-28,34-35H,4-20,24-26,29-32H2,1-3H3;1H/q+1;/p-1/t34-,35-;/m1./s1