3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzoate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-11-5-3-6-12(2)16(11)10-13-7-4-8-14(9-13)15(17)18/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1