(3S)-1-[2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[[(2S)-2-oxolanyl]methylamino]ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]piperidin-1-ium-3-carboxylate Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2CCCO2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC[C@@H]2CCCO2)C(=O)[O-]

InChI

InChI=1S/C13H22N2O4/c16-12(14-7-11-4-2-6-19-11)9-15-5-1-3-10(8-15)13(17)18/h10-11H,1-9H2,(H,14,16)(H,17,18)/t10-,11-/m0/s1