ethyl (2S)-1-[[2,6-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[[2,6-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(2,6-difluorophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2,6-difluorophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(2,6-difluorophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,6-difluorobenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H20F2NO2+ MolecularWeight: 284.321606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C=CC=C2F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=C(C=CC=C2F)F

InChI

InChI=1S/C15H19F2NO2/c1-2-20-15(19)14-8-3-4-9-18(14)10-11-12(16)6-5-7-13(11)17/h5-7,14H,2-4,8-10H2,1H3/p+1/t14-/m0/s1