dihexadecyl-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-azanium chloride

Systemtic Name: dihexadecyl-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-methyl-azanium chloride Openeye Name: dihexadecyl-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-methyl-ammonium chloride CAS Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-dihexadecyl-methylammonium chloride IUPAC Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-dihexadecyl-methylazanium chloride Traditional Name: dicetyl-(2-hydroxy-1,1-dimethylol-ethyl)-methyl-ammonium chloride Formula: C37H78ClNO3 MolecularWeight: 620.47312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H78NO3.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(3,37(34-39,35-40)36-41)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h39-41H,4-36H2,1-3H3;1H/q+1;/p-1