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

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzoate Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-pyrrolidin-1-iumylmethyl)benzoate IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzoate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,14,15)