[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-methoxybenzoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-methoxybenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-methoxybenzoate Traditional Name: 3-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=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-13(12-17-9-4-3-5-10-17)20-16(18)14-7-6-8-15(11-14)19-2/h6-8,11,13H,3-5,9-10,12H2,1-2H3/p+1/t13-/m1/s1