disodium 2-[[3-(1-methylpyridin-1-ium-2-yl)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: disodium 2-[[3-(1-methylpyridin-1-ium-2-yl)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: disodium 2-[3-(1-methylpyridin-1-ium-2-yl)-N-(2-oxido-2-oxo-ethyl)anilino]acetate CAS Name: disodium 2-[3-(1-methyl-2-pyridin-1-iumyl)-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: disodium 2-[3-(1-methylpyridin-1-ium-2-yl)-N-(2-oxido-2-oxoethyl)anilino]acetate Traditional Name: disodium 2-[N-(2-keto-2-oxido-ethyl)-3-(1-methylpyridin-1-ium-2-yl)anilino]acetate Formula: C16H15N2Na2O4+ MolecularWeight: 345.28084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=CC(=CC=C2)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C[N+]1=CC=CC=C1C2=CC(=CC=C2)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H16N2O4.2Na/c1-17-8-3-2-7-14(17)12-5-4-6-13(9-12)18(10-15(19)20)11-16(21)22;;/h2-9H,10-11H2,1H3,(H-,19,20,21,22);;/q;2*+1/p-1