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

Systemtic Name: disodium 3-(furan-2-yl)-2-[oxidanidyl(piperidin-1-ylmethyl)phosphoryl]propanoate Openeye Name: disodium 3-(2-furyl)-2-[oxido(1-piperidylmethyl)phosphoryl]propanoate CAS Name: disodium 3-(2-furanyl)-2-[oxido(1-piperidinylmethyl)phosphoryl]propanoate IUPAC Name: disodium 3-(furan-2-yl)-2-[oxido(piperidin-1-ylmethyl)phosphoryl]propanoate Traditional Name: disodium 3-(2-furyl)-2-[oxido(piperidinomethyl)phosphoryl]propionate Formula: C13H18NNa2O5P MolecularWeight: 345.239021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CP(=O)(C(CC2=CC=CO2)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CCN(CC1)CP(=O)(C(CC2=CC=CO2)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C13H20NO5P.2Na/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);;/q;2*+1/p-2