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

Systemtic Name: hexyl-dimethyl-[[(1S,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium Openeye Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethyl-ammonium CAS Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethylammonium IUPAC Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethylazanium Traditional Name: [(1S,2R)-2-benzoyloxycyclohexyl]methyl-hexyl-dimethyl-ammonium Formula: C22H36NO2+ MolecularWeight: 346.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C)CC1CCCCC1OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[N+](C)(C)C[C@@H]1CCCC[C@H]1OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H36NO2/c1-4-5-6-12-17-23(2,3)18-20-15-10-11-16-21(20)25-22(24)19-13-8-7-9-14-19/h7-9,13-14,20-21H,4-6,10-12,15-18H2,1-3H3/q+1/t20-,21+/m0/s1