3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)benzofuran-2-carboxylate CAS Name: 3-(1-piperidin-1-iumylmethyl)-2-benzofurancarboxylate IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)coumarilate Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C15H17NO3/c17-15(18)14-12(10-16-8-4-1-5-9-16)11-6-2-3-7-13(11)19-14/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)