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

Systemtic Name: (2S)-2-[[5-methyl-4-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[5-methyl-4-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-methyl-4-[(4-oxo-1-piperidin-1-iumyl)methyl]-2-furanyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[5-methyl-4-[(4-oxopiperidin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-[(4-ketopiperidin-1-ium-1-yl)methyl]-5-methyl-2-furoyl]amino]propionate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-9(15(20)21)16-14(19)13-7-11(10(2)22-13)8-17-5-3-12(18)4-6-17/h7,9H,3-6,8H2,1-2H3,(H,16,19)(H,20,21)/t9-/m0/s1