(1-methylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate; dihydrate

Systemtic Name: (1-methylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate; dihydrate Openeye Name: (1-methylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylammonio)acetate; dihydrate CAS Name: (1-methyl-3-pyrrolidin-1-iumyl)methanesulfonic acid; 2-(trimethylammonio)acetate; dihydrate IUPAC Name: (1-methylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)acetate; dihydrate Traditional Name: (1-methylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylammonio)acetate; dihydrate Formula: C11H29N2O7S+ MolecularWeight: 333.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO3S.C5H11NO2.2H2O/c1-7-3-2-6(4-7)5-11(8,9)10;1-6(2,3)4-5(7)8;;/h6H,2-5H2,1H3,(H,8,9,10);4H2,1-3H3;2*1H2/p+1