1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carboxylate Formula: C13H15ClFNO2 MolecularWeight: 271.715103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFNO2/c14-11-2-1-3-12(15)10(11)8-16-6-4-9(5-7-16)13(17)18/h1-3,9H,4-8H2,(H,17,18)