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

Systemtic Name: 3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethoxy]benzoate CAS Name: 3-[2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C16H23NO3/c1-12-5-3-6-13(2)17(12)9-10-20-15-8-4-7-14(11-15)16(18)19/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,18,19)/t12-,13-/m0/s1