[(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-fluoranylbenzoate

Systemtic Name: [(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-fluoranylbenzoate Openeye Name: [(1S)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [(2S)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [(1S)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C15H21FNO2+ MolecularWeight: 266.331143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C[NH+]1CCCCC1)OC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H20FNO2/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3/p+1/t12-/m0/s1