2-[[5-methyl-4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[5-methyl-4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]ethanoate Openeye Name: 2-[[5-methyl-4-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate CAS Name: 2-[[[5-methyl-4-[(4-oxo-1-piperidin-1-iumyl)methyl]-2-furanyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[5-methyl-4-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]acetate Traditional Name: 2-[[4-[(4-ketopiperidin-1-ium-1-yl)methyl]-5-methyl-2-furoyl]amino]acetate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9-10(8-16-4-2-11(17)3-5-16)6-12(21-9)14(20)15-7-13(18)19/h6H,2-5,7-8H2,1H3,(H,15,20)(H,18,19)