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

Systemtic Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)-3-pyrrolidin-1-iumyl]methylsulfonyl]acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[[1-lauryl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid; 2-(trimethylammonio)acetate Formula: C26H53N2O9S2+ MolecularWeight: 601.83702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO7S2.C5H11NO2/c1-3-4-5-6-7-8-9-10-11-12-13-22(2)14-19(16-30(25,26)18-21(23)24)20(15-22)17-31(27,28)29;1-6(2,3)4-5(7)8/h19-20H,3-18H2,1-2H3,(H-,23,24,27,28,29);4H2,1-3H3/p+1