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

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)COC2=CC=CC=C2C#N

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)COC2=CC=CC=C2C#N

InChI

InChI=1S/C15H18N2O3/c1-17-8-4-6-13(10-17)20-15(18)11-19-14-7-3-2-5-12(14)9-16/h2-3,5,7,13H,4,6,8,10-11H2,1H3/p+1/t13-/m0/s1