4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-benzonitrile Formula: C15H20FN2+ MolecularWeight: 247.331103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=C(C=C2)C#N)F)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN2/c1-11-4-3-5-12(2)18(11)10-14-7-6-13(9-17)8-15(14)16/h6-8,11-12H,3-5,10H2,1-2H3/p+1/t11-,12-/m0/s1