1,5-bis(oxidanyl)pentan-3-yl-[2-(octadecanoylamino)ethyl]azanium chloride

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-[2-(octadecanoylamino)ethyl]azanium chloride Openeye Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-[2-(octadecanoylamino)ethyl]ammonium chloride CAS Name: 1,5-dihydroxypentan-3-yl-[2-(1-oxooctadecylamino)ethyl]ammonium chloride IUPAC Name: 1,5-dihydroxypentan-3-yl-[2-(octadecanoylamino)ethyl]azanium chloride Traditional Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-(2-stearamidoethyl)ammonium chloride Formula: C25H53ClN2O3 MolecularWeight: 465.15292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC[NH2+]C(CCO)CCO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC[NH2+]C(CCO)CCO.[Cl-]

InChI

InChI=1S/C25H52N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-21-20-26-24(18-22-28)19-23-29;/h24,26,28-29H,2-23H2,1H3,(H,27,30);1H