2-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanoate

Systemtic Name: 2-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate Formula: C16H23NO2 MolecularWeight: 261.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(C=C2)CC(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)CC(=O)[O-])C

InChI

InChI=1S/C16H23NO2/c1-12-7-13(2)10-17(9-12)11-15-5-3-14(4-6-15)8-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)/t12-,13-/m0/s1