[1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: [1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: [1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate CAS Name: [1-methyl-4-(sulfomethyl)-3-pyrrolidin-1-iumyl]methanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: [1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: [1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate Formula: C12H27N2O8S2+ MolecularWeight: 391.48138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO6S2.C5H11NO2/c1-8-2-6(4-15(9,10)11)7(3-8)5-16(12,13)14;1-6(2,3)4-5(7)8/h6-7H,2-5H2,1H3,(H,9,10,11)(H,12,13,14);4H2,1-3H3/p+1