2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate CAS Name: 2-[3-(1-pyrrolidin-1-iumyl)propoxy]benzoate IUPAC Name: 2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 2-(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=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c16-14(17)12-6-1-2-7-13(12)18-11-5-10-15-8-3-4-9-15/h1-2,6-7H,3-5,8-11H2,(H,16,17)