[(3S)-1-methylpiperidin-1-ium-3-yl] 3-fluoranylbenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-fluoranylbenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H17FNO2+ MolecularWeight: 238.277983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H16FNO2/c1-15-7-3-6-12(9-15)17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3/p+1/t12-/m0/s1