dihexadecyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexoxy]pentyl]azanium chloride

Systemtic Name: dihexadecyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexoxy]pentyl]azanium chloride Openeye Name: dihexadecyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentyl]ammonium chloride CAS Name: dihexadecyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentyl]ammonium chloride IUPAC Name: dihexadecyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentyl]azanium chloride Traditional Name: dicetyl-methyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentyl]ammonium chloride Formula: C44H92ClNO6 MolecularWeight: 766.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCOCC(C(C(C(CO)O)O)O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)CCCCCOC[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O.[Cl-]

InChI

InChI=1S/C44H92NO6.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-31-35-45(3,36-32-29-27-25-23-21-19-17-15-13-11-9-7-5-2)37-33-30-34-38-51-40-42(48)44(50)43(49)41(47)39-46;/h41-44,46-50H,4-40H2,1-3H3;1H/q+1;/p-1/t41-,42+,43+,44-;/m1./s1