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

Systemtic Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]ethanoic acid Openeye Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid CAS Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)-3-pyrrolidin-1-iumyl]methylsulfonyl]acetic acid IUPAC Name: 2-[[1-dodecyl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid Traditional Name: 2-[[1-lauryl-1-methyl-4-(sulfomethyl)pyrrolidin-1-ium-3-yl]methylsulfonyl]acetic acid Formula: C21H42NO7S2+ MolecularWeight: 484.69068

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO7S2/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/h19-20H,3-18H2,1-2H3,(H-,23,24,27,28,29)/p+1