(2S)-3-(furan-2-yl)-2-[oxidanidyl(piperidin-1-ium-1-ylmethyl)phosphoryl]propanoate

Systemtic Name: (2S)-3-(furan-2-yl)-2-[oxidanidyl(piperidin-1-ium-1-ylmethyl)phosphoryl]propanoate Openeye Name: (2S)-3-(2-furyl)-2-[oxido(piperidin-1-ium-1-ylmethyl)phosphoryl]propanoate CAS Name: (2S)-3-(2-furanyl)-2-[oxido(1-piperidin-1-iumylmethyl)phosphoryl]propanoate IUPAC Name: (2S)-3-(furan-2-yl)-2-[oxido(piperidin-1-ium-1-ylmethyl)phosphoryl]propanoate Traditional Name: (2S)-3-(2-furyl)-2-[oxido(piperidin-1-ium-1-ylmethyl)phosphoryl]propionate Formula: C13H19NO5P- MolecularWeight: 300.267421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CP(=O)(C(CC2=CC=CO2)C(=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CP(=O)([C@@H](CC2=CC=CO2)C(=O)[O-])[O-]

InChI

InChI=1S/C13H20NO5P/c15-13(16)12(9-11-5-4-8-19-11)20(17,18)10-14-6-2-1-3-7-14/h4-5,8,12H,1-3,6-7,9-10H2,(H,15,16)(H,17,18)/p-1/t12-/m0/s1