[(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenoxy)ethanoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenoxy)ethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H22NO4+ MolecularWeight: 280.33948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)COC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)COC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H21NO4/c1-16-9-3-4-14(10-16)20-15(17)11-19-13-7-5-12(18-2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3/p+1/t14-/m0/s1