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

Systemtic Name: [3-(2-hexan-2-yldecanoyloxy)-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [2-hydroxy-3-[2-(1-methylpentyl)decanoyloxy]propyl]-trimethyl-ammonium chloride CAS Name: [3-(2-hexan-2-yl-1-oxodecoxy)-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-(2-hexan-2-yldecanoyloxy)-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-[2-(1-methylpentyl)decanoyloxy]propyl]-trimethyl-ammonium chloride Formula: C22H46ClNO3 MolecularWeight: 408.05854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C)CCCC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCC(C(C)CCCC)C(=O)OCC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C22H46NO3.ClH/c1-7-9-11-12-13-14-16-21(19(3)15-10-8-2)22(25)26-18-20(24)17-23(4,5)6;/h19-21,24H,7-18H2,1-6H3;1H/q+1;/p-1