trimethyl-[3-(2-octyldodecanoyloxy)-2-oxidanyl-propyl]azanium chloride

Systemtic Name: trimethyl-[3-(2-octyldodecanoyloxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(2-octyldodecanoyloxy)propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(2-octyl-1-oxododecoxy)propyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(2-octyldodecanoyloxy)propyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-(2-octyldodecanoyloxy)propyl]-trimethyl-ammonium chloride Formula: C26H54ClNO3 MolecularWeight: 464.16486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C26H54NO3.ClH/c1-6-8-10-12-14-15-17-19-21-24(20-18-16-13-11-9-7-2)26(29)30-23-25(28)22-27(3,4)5;/h24-25,28H,6-23H2,1-5H3;1H/q+1;/p-1