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

Systemtic Name: dodecyl-dimethyl-[[(1R,2R)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium Openeye Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dodecyl-dimethyl-ammonium CAS Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dodecyl-dimethylammonium IUPAC Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-dodecyl-dimethylazanium Traditional Name: [(1R,2R)-2-benzoyloxycyclohexyl]methyl-lauryl-dimethyl-ammonium Formula: C28H48NO2+ MolecularWeight: 430.68622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48NO2/c1-4-5-6-7-8-9-10-11-12-18-23-29(2,3)24-26-21-16-17-22-27(26)31-28(30)25-19-14-13-15-20-25/h13-15,19-20,26-27H,4-12,16-18,21-24H2,1-3H3/q+1/t26-,27-/m1/s1