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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H22NO3+ MolecularWeight: 288.36148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H21NO3/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3/p+1/t13-/m1/s1