1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)NCC2=CC=CO2

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)NCC2=CC=CO2

InChI

InChI=1S/C13H18N2O4/c16-12(14-8-11-2-1-7-19-11)9-15-5-3-10(4-6-15)13(17)18/h1-2,7,10H,3-6,8-9H2,(H,14,16)(H,17,18)