(3S)-1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-furanylmethylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=CO2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=CO2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O4/c16-12(14-7-11-4-2-6-19-11)9-15-5-1-3-10(8-15)13(17)18/h2,4,6,10H,1,3,5,7-9H2,(H,14,16)(H,17,18)/t10-/m0/s1