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

Systemtic Name: (2S)-2-[[2-[(4-oxidanylidenepiperidin-1-ium-1-yl)methyl]phenyl]carbonylamino]propanoate Openeye Name: (2S)-2-[[2-[(4-oxopiperidin-1-ium-1-yl)methyl]benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[2-[(4-oxo-1-piperidin-1-iumyl)methyl]phenyl]methyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[(4-oxopiperidin-1-ium-1-yl)methyl]benzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(4-ketopiperidin-1-ium-1-yl)methyl]benzoyl]amino]propionate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC=CC=C1C[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC=CC=C1C[NH+]2CCC(=O)CC2

InChI

InChI=1S/C16H20N2O4/c1-11(16(21)22)17-15(20)14-5-3-2-4-12(14)10-18-8-6-13(19)7-9-18/h2-5,11H,6-10H2,1H3,(H,17,20)(H,21,22)/t11-/m0/s1