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

Systemtic Name: ethyl (3S)-3-[[2,4-bis(fluoranyl)phenyl]methyl]-1-methyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(2,4-difluorophenyl)methyl]-1-methyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2,4-difluorophenyl)methyl]-1-methylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2,4-difluorobenzyl)-1-methyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H22F2NO2+ MolecularWeight: 298.348186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F2NO2/c1-3-21-15(20)16(7-4-8-19(2)11-16)10-12-5-6-13(17)9-14(12)18/h5-6,9H,3-4,7-8,10-11H2,1-2H3/p+1/t16-/m0/s1