[1,5-bis(hexadecanoylamino)-3-(hydroxymethyl)pentan-3-yl]azanium chloride

Systemtic Name: [1,5-bis(hexadecanoylamino)-3-(hydroxymethyl)pentan-3-yl]azanium chloride Openeye Name: [3-(hexadecanoylamino)-1-[2-(hexadecanoylamino)ethyl]-1-(hydroxymethyl)propyl]ammonium chloride CAS Name: [3-(hydroxymethyl)-1,5-bis(1-oxohexadecylamino)pentan-3-yl]ammonium chloride IUPAC Name: [1,5-bis(hexadecanoylamino)-3-(hydroxymethyl)pentan-3-yl]azanium chloride Traditional Name: [1-methylol-3-palmitamido-1-(2-palmitamidoethyl)propyl]ammonium chloride Formula: C38H78ClN3O3 MolecularWeight: 660.49722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC(CCNC(=O)CCCCCCCCCCCCCCC)(CO)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC(CCNC(=O)CCCCCCCCCCCCCCC)(CO)[NH3+].[Cl-]

InChI

InChI=1S/C38H77N3O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)40-33-31-38(39,35-42)32-34-41-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h42H,3-35,39H2,1-2H3,(H,40,43)(H,41,44);1H