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

Systemtic Name: 4-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methyl-2-furoate Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C13H18N2O4/c1-8-10(6-11(19-8)13(17)18)7-15-4-2-9(3-5-15)12(14)16/h6,9H,2-5,7H2,1H3,(H2,14,16)(H,17,18)