5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-2-furoate Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c13-11(15)8-3-5-14(6-4-8)7-9-1-2-10(18-9)12(16)17/h1-2,8H,3-7H2,(H2,13,15)(H,16,17)