sodium; [1,1-dimethyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfinate; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: sodium; [1,1-dimethyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfinate; 2-(trimethylazaniumyl)ethanoate Openeye Name: sodium; [1,1-dimethyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfinate; 2-(trimethylammonio)acetate CAS Name: sodium; [1,1-dimethyl-4-(sulfomethyl)-3-pyrrolidin-1-iumyl]methanesulfinate; 2-(trimethylammonio)acetate IUPAC Name: sodium; [1,1-dimethyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfinate; 2-(trimethylazaniumyl)acetate Traditional Name: sodium; [1,1-dimethyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfinate; 2-(trimethylammonio)acetate Formula: C13H28N2NaO7S2+ MolecularWeight: 411.49039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(C1)CS(=O)(=O)O)CS(=O)[O-])C.C[N+](C)(C)CC(=O)[O-].[Na+]

Isomeric SMILES

C[N+]1(CC(C(C1)CS(=O)(=O)O)CS(=O)[O-])C.C[N+](C)(C)CC(=O)[O-].[Na+]

InChI

InChI=1S/C8H17NO5S2.C5H11NO2.Na/c1-9(2)3-7(5-15(10)11)8(4-9)6-16(12,13)14;1-6(2,3)4-5(7)8;/h7-8H,3-6H2,1-2H3,(H-,10,11,12,13,14);4H2,1-3H3;/q;;+1