3-(dodecanoylamino)propyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 3-(dodecanoylamino)propyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-(dodecanoylamino)propyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium; 2-(trimethylammonio)acetate CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-[3-(1-oxododecylamino)propyl]ammonium; 2-(trimethylammonio)acetate IUPAC Name: 3-(dodecanoylamino)propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium; 2-(trimethylazaniumyl)acetate Traditional Name: (2-hydroxy-3-sulfo-propyl)-[3-(lauroylamino)propyl]-dimethyl-ammonium; 2-(trimethylammonio)acetate Formula: C25H54N3O7S+ MolecularWeight: 540.77716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N2O5S.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27;1-6(2,3)4-5(7)8/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27);4H2,1-3H3/p+1