3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]coumarilate Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1O)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C15H17NO4/c17-10-5-7-16(8-6-10)9-12-11-3-1-2-4-13(11)20-14(12)15(18)19/h1-4,10,17H,5-9H2,(H,18,19)