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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)12-3-2-11(21-12)8-16-6-4-10(17)5-7-16/h2-3,9H,4-8H2,1H3,(H,15,18)(H,19,20)/t9-/m0/s1