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

Systemtic Name: decyl-dimethyl-[[(1S,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium bromide Openeye Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-decyl-dimethyl-ammonium bromide CAS Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-decyl-dimethylammonium bromide IUPAC Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-decyl-dimethylazanium bromide Traditional Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-decyl-dimethyl-ammonium bromide Formula: C26H44BrNO2 MolecularWeight: 482.53706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44NO2.BrH/c1-4-5-6-7-8-9-10-16-21-27(2,3)22-24-19-14-15-20-25(24)29-26(28)23-17-12-11-13-18-23;/h11-13,17-18,24-25H,4-10,14-16,19-22H2,1-3H3;1H/q+1;/p-1/t24-,25+;/m0./s1