3-(dimethylamino)pentadecane-3-sulfonate; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 3-(dimethylamino)pentadecane-3-sulfonate; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-(dimethylamino)pentadecane-3-sulfonate; 2-(trimethylammonio)acetate CAS Name: 3-(dimethylamino)-3-pentadecanesulfonate; 2-(trimethylammonio)acetate IUPAC Name: 3-(dimethylamino)pentadecane-3-sulfonate; 2-(trimethylazaniumyl)acetate Traditional Name: 3-(dimethylamino)pentadecane-3-sulfonate; 2-(trimethylammonio)acetate Formula: C22H47N2O5S- MolecularWeight: 451.68398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC)(N(C)C)S(=O)(=O)[O-].C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CC)(N(C)C)S(=O)(=O)[O-].C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C17H37NO3S.C5H11NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17(6-2,18(3)4)22(19,20)21;1-6(2,3)4-5(7)8/h5-16H2,1-4H3,(H,19,20,21);4H2,1-3H3/p-1