[(1S,2R)-2-pyridin-1-ium-1-ylcyclohexyl] ethanoate

Systemtic Name: [(1S,2R)-2-pyridin-1-ium-1-ylcyclohexyl] ethanoate Openeye Name: [(1S,2R)-2-pyridin-1-ium-1-ylcyclohexyl] acetate CAS Name: acetic acid [(1S,2R)-2-(1-pyridin-1-iumyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-pyridin-1-ium-1-ylcyclohexyl] acetate Traditional Name: acetic acid [(1S,2R)-2-pyridin-1-ium-1-ylcyclohexyl] ester Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1[N+]2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H]1CCCC[C@H]1[N+]2=CC=CC=C2

InChI

InChI=1S/C13H18NO2/c1-11(15)16-13-8-4-3-7-12(13)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,3-4,7-8H2,1H3/q+1/t12-,13+/m1/s1