5-[(1S)-1-(4-oxidanylidenepiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-(4-oxidanylidenepiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(4-oxopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-(4-oxo-1-piperidin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(4-oxopiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-ketopiperidin-1-ium-1-yl)ethyl]-2-furoate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])[NH+]2CCC(=O)CC2

InChI

InChI=1S/C12H15NO4/c1-8(13-6-4-9(14)5-7-13)10-2-3-11(17-10)12(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)/t8-/m0/s1