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

Systemtic Name: dimethyl-octadecyl-[[(1R,2S)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecyl-ammonium bromide CAS Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecylammonium bromide IUPAC Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecylazanium bromide Traditional Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-stearyl-ammonium bromide Formula: C34H60BrNO2 MolecularWeight: 594.7497

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-35(2,3)30-32-27-22-23-28-33(32)37-34(36)31-25-20-19-21-26-31;/h19-21,25-26,32-33H,4-18,22-24,27-30H2,1-3H3;1H/q+1;/p-1/t32-,33+;/m1./s1