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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54NO3.ClH/c1-7-9-11-13-14-15-16-18-20-25(23(3)19-17-12-10-8-2)26(29)30-22-24(28)21-27(4,5)6;/h23-25,28H,7-22H2,1-6H3;1H/q+1;/p-1