disodium 2-[12-[dimethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]dodecyl-dimethyl-azaniumyl]ethanoate dibromide

Systemtic Name: disodium 2-[12-[dimethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]dodecyl-dimethyl-azaniumyl]ethanoate dibromide Openeye Name: disodium 2-[12-[dimethyl-(2-oxido-2-oxo-ethyl)ammonio]dodecyl-dimethyl-ammonio]acetate dibromide CAS Name: disodium 2-[12-[dimethyl-(2-oxido-2-oxoethyl)ammonio]dodecyl-dimethylammonio]acetate dibromide IUPAC Name: disodium 2-[12-[dimethyl-(2-oxido-2-oxoethyl)azaniumyl]dodecyl-dimethylazaniumyl]acetate dibromide Traditional Name: disodium 2-[12-[(2-keto-2-oxido-ethyl)-dimethyl-ammonio]dodecyl-dimethyl-ammonio]acetate dibromide Formula: C20H40Br2N2Na2O4 MolecularWeight: 578.33014

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Br-].[Br-]

InChI

InChI=1S/C20H40N2O4.2BrH.2Na/c1-21(2,17-19(23)24)15-13-11-9-7-5-6-8-10-12-14-16-22(3,4)18-20(25)26;;;;/h5-18H2,1-4H3;2*1H;;/q;;;2*+1/p-2