3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate CAS Name: 3-[3-(1-pyrrolidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

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