3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate

Systemtic Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate Openeye Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate CAS Name: 3-[3-(1-pyrrolidin-1-iumylmethyl)phenoxy]propanoate IUPAC Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propanoate Traditional Name: 3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propionate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c16-14(17)6-9-18-13-5-3-4-12(10-13)11-15-7-1-2-8-15/h3-5,10H,1-2,6-9,11H2,(H,16,17)