[(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] 3-methoxybenzoate

Systemtic Name: [(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] 3-methoxybenzoate Openeye Name: [(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(2R)-1,1,1-trifluoro-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1,1,1-trifluoro-3-piperidin-1-ium-1-ylpropan-2-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester Formula: C16H21F3NO3+ MolecularWeight: 332.33805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC(C[NH+]2CCCCC2)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)O[C@H](C[NH+]2CCCCC2)C(F)(F)F

InChI

InChI=1S/C16H20F3NO3/c1-22-13-7-5-6-12(10-13)15(21)23-14(16(17,18)19)11-20-8-3-2-4-9-20/h5-7,10,14H,2-4,8-9,11H2,1H3/p+1/t14-/m1/s1