5-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]-2-furoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)CCO)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H19NO4/c15-8-6-10-3-1-2-7-14(10)9-11-4-5-12(18-11)13(16)17/h4-5,10,15H,1-3,6-9H2,(H,16,17)/t10-/m1/s1