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

Systemtic Name: [1-dodecyl-1-methyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: [1-dodecyl-1-methyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate CAS Name: [1-dodecyl-1-methyl-4-(methylsulfonylmethyl)-3-pyrrolidin-1-iumyl]methanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: [1-dodecyl-1-methyl-4-(methylsulfonylmethyl)pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: [1-lauryl-4-(mesylmethyl)-1-methyl-pyrrolidin-1-ium-3-yl]methanesulfonic acid; 2-(trimethylammonio)acetate Formula: C25H53N2O7S2+ MolecularWeight: 557.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H41NO5S2.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-21(2)15-19(17-27(3,22)23)20(16-21)18-28(24,25)26;1-6(2,3)4-5(7)8/h19-20H,4-18H2,1-3H3;4H2,1-3H3/p+1