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

Systemtic Name: 2-[4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanoate Openeye Name: 2-[4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]phenyl]acetate IUPAC Name: 2-[4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CC=C(C=C2)CC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2/c1-12-4-3-5-13(2)17(12)11-15-8-6-14(7-9-15)10-16(18)19/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,19)/t12-,13-/m0/s1