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

Systemtic Name: dimethyl-[[(1R,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]-tetradecyl-azanium bromide Openeye Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-tetradecyl-ammonium bromide CAS Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-tetradecylammonium bromide IUPAC Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-tetradecylazanium bromide Traditional Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dimethyl-myristyl-ammonium bromide Formula: C30H52BrNO2 MolecularWeight: 538.64338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-20-25-31(2,3)26-28-23-18-19-24-29(28)33-30(32)27-21-16-15-17-22-27;/h15-17,21-22,28-29H,4-14,18-20,23-26H2,1-3H3;1H/q+1;/p-1/t28-,29-;/m1./s1