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

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C14H19ClNO3+ MolecularWeight: 284.75856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/p+1/t13-/m0/s1