4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluoranyl-benzoate

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluoranyl-benzoate Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-fluoro-benzoate CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-fluorobenzoate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-fluorobenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]-3-fluoro-benzoate Formula: C14H17FNO2- MolecularWeight: 250.288683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)[O-])F)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(=O)[O-])F)C

InChI

InChI=1S/C14H18FNO2/c1-9-5-10(2)8-16(7-9)13-4-3-11(14(17)18)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1