methyl-dioctadecyl-[(2R,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]azanium chloride

Systemtic Name: methyl-dioctadecyl-[(2R,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]azanium chloride Openeye Name: methyl-dioctadecyl-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]ammonium chloride CAS Name: methyl-dioctadecyl-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]ammonium chloride IUPAC Name: methyl-dioctadecyl-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]azanium chloride Traditional Name: methyl-distearyl-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]ammonium chloride Formula: C42H88ClNO4 MolecularWeight: 706.60542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(C(C(CO)O)O)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C42H88NO4.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(3,38-40(45)42(47)41(46)39-44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h40-42,44-47H,4-39H2,1-3H3;1H/q+1;/p-1/t40-,41-,42+;/m1./s1