ethyl (3R)-1-[[2,4-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[2,4-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2,4-difluorophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2,4-difluorobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20F2NO2+ MolecularWeight: 284.321606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H19F2NO2/c1-2-20-15(19)12-4-3-7-18(10-12)9-11-5-6-13(16)8-14(11)17/h5-6,8,12H,2-4,7,9-10H2,1H3/p+1/t12-/m1/s1