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

Systemtic Name: [4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: [4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate CAS Name: [4-(sulfomethyl)-3-pyrrolidin-1-iumyl]methanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: [4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: [4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate Formula: C11H25N2O8S2+ MolecularWeight: 377.4548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1C(C(C[NH2+]1)CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1C(C(C[NH2+]1)CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C6H13NO6S2.C5H11NO2/c8-14(9,10)3-5-1-7-2-6(5)4-15(11,12)13;1-6(2,3)4-5(7)8/h5-7H,1-4H2,(H,8,9,10)(H,11,12,13);4H2,1-3H3/p+1