2-(trimethylazaniumyl)ethanoate; (1,1,4-trimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid

Systemtic Name: 2-(trimethylazaniumyl)ethanoate; (1,1,4-trimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid Openeye Name: 2-(trimethylammonio)acetate; (1,1,4-trimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid CAS Name: 2-(trimethylammonio)acetate; (1,1,4-trimethyl-3-pyrrolidin-1-iumyl)methanesulfonic acid IUPAC Name: 2-(trimethylazaniumyl)acetate; (1,1,4-trimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid Traditional Name: 2-(trimethylammonio)acetate; (1,1,4-trimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid Formula: C13H29N2O5S+ MolecularWeight: 325.44476

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CC1CS(=O)(=O)O)(C)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC1C[N+](CC1CS(=O)(=O)O)(C)C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C8H17NO3S.C5H11NO2/c1-7-4-9(2,3)5-8(7)6-13(10,11)12;1-6(2,3)4-5(7)8/h7-8H,4-6H2,1-3H3;4H2,1-3H3/p+1