2-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)benzoate

Systemtic Name: 2-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)benzoate Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)benzoate CAS Name: 2-[oxo-[2-(1-pyrrolidin-1-iumyl)ethylamino]methyl]benzoate IUPAC Name: 2-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)benzoate Traditional Name: 2-(2-pyrrolidin-1-ium-1-ylethylcarbamoyl)benzoate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)