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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C[NH+]2CCCCC2

InChI

InChI=1S/C16H23NO2/c1-13-7-6-8-15(11-13)16(18)19-14(2)12-17-9-4-3-5-10-17/h6-8,11,14H,3-5,9-10,12H2,1-2H3/p+1/t14-/m1/s1