3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-benzonitrile Formula: C15H20FN2+ MolecularWeight: 247.331103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=C(C=CC(=C2)C#N)F)C

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN2/c1-11-5-12(2)9-18(8-11)10-14-6-13(7-17)3-4-15(14)16/h3-4,6,11-12H,5,8-10H2,1-2H3/p+1/t11-,12-/m0/s1