4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Openeye Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methoxy]benzoate IUPAC Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1COC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1COC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C15H21NO3/c1-11-4-3-5-12(2)16(11)10-19-14-8-6-13(7-9-14)15(17)18/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1