4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-fluoranyl-benzoate

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-fluoranyl-benzoate Openeye Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidyl]-3-fluoro-benzoate CAS Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-3-fluorobenzoate IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-fluorobenzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidino]-3-fluoro-benzoate Formula: C14H17FNO2- MolecularWeight: 250.288683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C2=C(C=C(C=C2)C(=O)[O-])F)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C2=C(C=C(C=C2)C(=O)[O-])F)C

InChI

InChI=1S/C14H18FNO2/c1-9-4-3-5-10(2)16(9)13-7-6-11(14(17)18)8-12(13)15/h6-10H,3-5H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1