2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethanoate

Systemtic Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethanoate Openeye Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acetate CAS Name: 2-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]acetate IUPAC Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acetate Traditional Name: 2-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acetate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)CC(=O)[O-]

InChI

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