[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-methylphenoxy)ethanoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-methylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-(4-methylphenoxy)acetate CAS Name: 2-(4-methylphenoxy)acetic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-methylphenoxy)acetate Traditional Name: 2-(4-methylphenoxy)acetic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-14-6-8-16(9-7-14)20-13-17(19)21-15(2)12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-13H2,1-2H3/p+1/t15-/m1/s1