2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]ethanoate

Systemtic Name: 2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]ethanoate Openeye Name: 2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate CAS Name: 2-[3-(1-pyrrolidin-1-iumylmethyl)phenoxy]acetate IUPAC Name: 2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate Traditional Name: 2-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-13(16)10-17-12-5-3-4-11(8-12)9-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10H2,(H,15,16)