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

Systemtic Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethyloxy)propyl]-octadecyl-azanium; methyl sulfate Openeye Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethoxy)propyl]-octadecyl-ammonium; methyl sulfate CAS Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethoxy)propyl]-octadecylammonium; methyl sulfate IUPAC Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethoxy)propyl]-octadecylazanium; methyl sulfate Traditional Name: 2-(2-carboxyethyloxy)ethyl-[2-(2-hydroxyethoxy)propyl]-stearyl-ammonium; methyl sulfate Formula: C29H61NO9S MolecularWeight: 599.86094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H57NO5.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29(26-27(2)34-25-22-30)21-24-33-23-19-28(31)32;1-5-6(2,3)4/h27,30H,3-26H2,1-2H3,(H,31,32);1H3,(H,2,3,4)