(2S)-2-[4-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoylamino]propanoate

Systemtic Name: (2S)-2-[4-(4-oxidanylidenepiperidin-1-ium-1-yl)butanoylamino]propanoate Openeye Name: (2S)-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-4-(4-oxo-1-piperidin-1-iumyl)butyl]amino]propanoate IUPAC Name: (2S)-2-[4-(4-oxopiperidin-1-ium-1-yl)butanoylamino]propanoate Traditional Name: (2S)-2-[4-(4-ketopiperidin-1-ium-1-yl)butanoylamino]propionate Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCC[NH+]1CCC(=O)CC1

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCC[NH+]1CCC(=O)CC1

InChI

InChI=1S/C12H20N2O4/c1-9(12(17)18)13-11(16)3-2-6-14-7-4-10(15)5-8-14/h9H,2-8H2,1H3,(H,13,16)(H,17,18)/t9-/m0/s1