5-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-2-furoate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(O2)C(=O)[O-])C(=O)N

InChI

InChI=1S/C12H16N2O4/c13-11(15)8-2-1-5-14(6-8)7-9-3-4-10(18-9)12(16)17/h3-4,8H,1-2,5-7H2,(H2,13,15)(H,16,17)/t8-/m0/s1