[(2S,4R)-1,2-dimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [(2S,4R)-1,2-dimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [(2S,4R)-1,2-dimethyl-4-phenyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [(2S,4R)-1,2-dimethyl-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2S,4R)-1,2-dimethyl-4-phenylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [(2S,4R)-1,2-dimethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](C(C1)C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)O[C@@]1(CC[NH+]([C@H](C1)C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)13(2)12-16/h5-9,13H,4,10-12H2,1-3H3/p+1/t13-,16+/m0/s1