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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-chloranylbenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C15H21ClNO2+ MolecularWeight: 282.78574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H20ClNO2/c1-12(11-17-9-5-2-6-10-17)19-15(18)13-7-3-4-8-14(13)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1