2-(2-carboxyethyloxy)ethyl-(1-oxidanyltricosan-6-yl)azanium; methyl sulfate

Systemtic Name: 2-(2-carboxyethyloxy)ethyl-(1-oxidanyltricosan-6-yl)azanium; methyl sulfate Openeye Name: 2-(2-carboxyethyloxy)ethyl-[1-(5-hydroxypentyl)octadecyl]ammonium; methyl sulfate CAS Name: 2-(2-carboxyethyloxy)ethyl-(1-hydroxytricosan-6-yl)ammonium; methyl sulfate IUPAC Name: 2-(2-carboxyethyloxy)ethyl-(1-hydroxytricosan-6-yl)azanium; methyl sulfate Traditional Name: 2-(2-carboxyethyloxy)ethyl-[1-(5-hydroxypentyl)octadecyl]ammonium; methyl sulfate Formula: C29H61NO8S MolecularWeight: 583.86154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCO)[NH2+]CCOCCC(=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCO)[NH2+]CCOCCC(=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C28H57NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(21-18-16-19-24-30)29-23-26-33-25-22-28(31)32;1-5-6(2,3)4/h27,29-30H,2-26H2,1H3,(H,31,32);1H3,(H,2,3,4)