disodium 2-[2-(decanoylamino)ethyl-(2-hydroxyethyl)-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate

Systemtic Name: disodium 2-[2-(decanoylamino)ethyl-(2-hydroxyethyl)-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate Openeye Name: disodium 2-[2-(decanoylamino)ethyl-(2-hydroxyethyl)-(2-oxido-2-oxo-ethyl)ammonio]acetate CAS Name: disodium 2-[2-hydroxyethyl-(2-oxido-2-oxoethyl)-[2-(1-oxodecylamino)ethyl]ammonio]acetate IUPAC Name: disodium 2-[2-(decanoylamino)ethyl-(2-hydroxyethyl)-(2-oxido-2-oxoethyl)azaniumyl]acetate Traditional Name: disodium 2-[2-(caprylamino)ethyl-(2-hydroxyethyl)-(2-keto-2-oxido-ethyl)ammonio]acetate Formula: C18H33N2Na2O6+ MolecularWeight: 419.44396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC[N+](CCO)(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)NCC[N+](CCO)(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H34N2O6.2Na/c1-2-3-4-5-6-7-8-9-16(22)19-10-11-20(12-13-21,14-17(23)24)15-18(25)26;;/h21H,2-15H2,1H3,(H2-,19,22,23,24,25,26);;/q;2*+1/p-1