disodium 2-[2-[3,5-dimethyl-1-(2-oxidanidyl-2-oxidanylidene-ethyl)pyrazol-1-ium-1-yl]ethylamino]ethanoate

Systemtic Name: disodium 2-[2-[3,5-dimethyl-1-(2-oxidanidyl-2-oxidanylidene-ethyl)pyrazol-1-ium-1-yl]ethylamino]ethanoate Openeye Name: disodium 2-[2-[3,5-dimethyl-1-(2-oxido-2-oxo-ethyl)pyrazol-1-ium-1-yl]ethylamino]acetate CAS Name: disodium 2-[2-[3,5-dimethyl-1-(2-oxido-2-oxoethyl)-1-pyrazol-1-iumyl]ethylamino]acetate IUPAC Name: disodium 2-[2-[3,5-dimethyl-1-(2-oxido-2-oxoethyl)pyrazol-1-ium-1-yl]ethylamino]acetate Traditional Name: disodium 2-[2-[1-(2-keto-2-oxido-ethyl)-3,5-dimethyl-pyrazol-1-ium-1-yl]ethylamino]acetate Formula: C11H16N3Na2O4+ MolecularWeight: 300.24198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(CCNCC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=N[N+]1(CCNCC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C11H17N3O4.2Na/c1-8-5-9(2)14(13-8,7-11(17)18)4-3-12-6-10(15)16;;/h5,12H,3-4,6-7H2,1-2H3,(H-,15,16,17,18);;/q;2*+1/p-1