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

Systemtic Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoranyl-phenyl]methylazanium Openeye Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-phenyl]methylammonium CAS Name: [3-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-4-fluorophenyl]methylammonium IUPAC Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluorophenyl]methylazanium Traditional Name: [3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-4-fluoro-benzyl]ammonium Formula: C15H25FN2+2 MolecularWeight: 252.370803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=CC(=C2)C[NH3+])F)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC2=C(C=CC(=C2)C[NH3+])F)C

InChI

InChI=1S/C15H23FN2/c1-11-4-3-5-12(2)18(11)10-14-8-13(9-17)6-7-15(14)16/h6-8,11-12H,3-5,9-10,17H2,1-2H3/p+2/t11-,12-/m0/s1