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

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H22NO3+ MolecularWeight: 264.34008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H21NO3/c1-16-9-3-4-14(11-16)19-15(17)10-12-5-7-13(18-2)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3/p+1/t14-/m0/s1