3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarilate Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H19NO3/c1-11-5-4-8-17(9-11)10-13-12-6-2-3-7-14(12)20-15(13)16(18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)/t11-/m0/s1