1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(coumaran-5-ylmethyl)piperidin-1-ium-4-carboxylate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C15H19NO3/c17-15(18)12-3-6-16(7-4-12)10-11-1-2-14-13(9-11)5-8-19-14/h1-2,9,12H,3-8,10H2,(H,17,18)