3-[[(2R)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[(2R)-2-aminocarbonylpyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[(2R)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(2R)-2-carbamoyl-1-pyrrolidin-1-iumyl]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[(2R)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2R)-2-carbamoylpyrrolidin-1-ium-1-yl]methyl]coumarilate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(OC3=CC=CC=C32)C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(OC3=CC=CC=C32)C(=O)[O-])C(=O)N

InChI

InChI=1S/C15H16N2O4/c16-14(18)11-5-3-7-17(11)8-10-9-4-1-2-6-12(9)21-13(10)15(19)20/h1-2,4,6,11H,3,5,7-8H2,(H2,16,18)(H,19,20)/t11-/m1/s1