2-(2-carboxyethyloxy)ethyl-dodecyl-[2-(2-hydroxyethyloxy)propyl]azanium; methyl sulfate

Systemtic Name: 2-(2-carboxyethyloxy)ethyl-dodecyl-[2-(2-hydroxyethyloxy)propyl]azanium; methyl sulfate Openeye Name: 2-(2-carboxyethyloxy)ethyl-dodecyl-[2-(2-hydroxyethoxy)propyl]ammonium; methyl sulfate CAS Name: 2-(2-carboxyethyloxy)ethyl-dodecyl-[2-(2-hydroxyethoxy)propyl]ammonium; methyl sulfate IUPAC Name: 2-(2-carboxyethyloxy)ethyl-dodecyl-[2-(2-hydroxyethoxy)propyl]azanium; methyl sulfate Traditional Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethoxy)propyl]-lauryl-ammonium; methyl sulfate Formula: C23H49NO9S MolecularWeight: 515.70146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](CCOCCC(=O)O)CC(C)OCCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](CCOCCC(=O)O)CC(C)OCCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H45NO5.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-14-23(20-21(2)28-19-16-24)15-18-27-17-13-22(25)26;1-5-6(2,3)4/h21,24H,3-20H2,1-2H3,(H,25,26);1H3,(H,2,3,4)