2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methoxy]benzoate IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methoxy]benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)COC2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)COC2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C15H21NO3/c1-11-7-12(2)9-16(8-11)10-19-14-6-4-3-5-13(14)15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1