2-hydroxyethyl-methyl-bis[3-(octadecanoylamino)propyl]azanium chloride

Systemtic Name: 2-hydroxyethyl-methyl-bis[3-(octadecanoylamino)propyl]azanium chloride Openeye Name: 2-hydroxyethyl-methyl-bis[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: 2-hydroxyethyl-methyl-bis[3-(1-oxooctadecylamino)propyl]ammonium chloride IUPAC Name: 2-hydroxyethyl-methyl-bis[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: 2-hydroxyethyl-methyl-bis(3-stearamidopropyl)ammonium chloride Formula: C45H92ClN3O3 MolecularWeight: 758.68328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCCNC(=O)CCCCCCCCCCCCCCCCC)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CCCNC(=O)CCCCCCCCCCCCCCCCC)CCO.[Cl-]

InChI

InChI=1S/C45H91N3O3.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(50)46-38-34-40-48(3,42-43-49)41-35-39-47-45(51)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h49H,4-43H2,1-3H3,(H-,46,47,50,51);1H