ethyl (3S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-cyano-2-fluoro-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-cyano-2-fluorophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-cyano-2-fluorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(5-cyano-2-fluoro-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20FN2O2+ MolecularWeight: 291.340603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O2/c1-2-21-16(20)13-4-3-7-19(10-13)11-14-8-12(9-18)5-6-15(14)17/h5-6,8,13H,2-4,7,10-11H2,1H3/p+1/t13-/m0/s1