1,5-bis(2-hydroxyethyloxy)pentan-3-yl-octadecyl-azanium; methyl sulfate

Systemtic Name: 1,5-bis(2-hydroxyethyloxy)pentan-3-yl-octadecyl-azanium; methyl sulfate Openeye Name: [3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl]-octadecyl-ammonium; methyl sulfate CAS Name: 1,5-bis(2-hydroxyethoxy)pentan-3-yl-octadecylammonium; methyl sulfate IUPAC Name: 1,5-bis(2-hydroxyethoxy)pentan-3-yl-octadecylazanium; methyl sulfate Traditional Name: [3-(2-hydroxyethoxy)-1-[2-(2-hydroxyethoxy)ethyl]propyl]-stearyl-ammonium; methyl sulfate Formula: C28H61NO8S MolecularWeight: 571.85084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]C(CCOCCO)CCOCCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H57NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(18-23-31-25-21-29)19-24-32-26-22-30;1-5-6(2,3)4/h27-30H,2-26H2,1H3;1H3,(H,2,3,4)