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

Systemtic Name: dimethyl-octadecyl-[[(1R,2S)-2-(phenylcarbonyloxy)cyclohexyl]methyl]azanium Openeye Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecyl-ammonium CAS Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecylammonium IUPAC Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-octadecylazanium Traditional Name: [(1R,2S)-2-benzoyloxycyclohexyl]methyl-dimethyl-stearyl-ammonium Formula: C34H60NO2+ MolecularWeight: 514.8457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60NO2/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/q+1/t32-,33+/m1/s1