[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-methoxybenzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-methoxybenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C16H24NO3+ MolecularWeight: 278.36666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2OC

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H23NO3/c1-13(12-17-10-6-3-7-11-17)20-16(18)14-8-4-5-9-15(14)19-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/p+1/t13-/m1/s1