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

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethoxy)benzoate Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethoxy)benzoate CAS Name: 3-(1-pyrrolidin-1-iumylmethoxy)benzoate IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethoxy)benzoate Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethoxy)benzoate Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)COC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)COC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H15NO3/c14-12(15)10-4-3-5-11(8-10)16-9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,14,15)