(2-icosanoyloxy-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium chloride

Systemtic Name: (2-icosanoyloxy-4-oxidanyl-4-oxidanylidene-butyl)-trimethyl-azanium chloride Openeye Name: (4-hydroxy-2-icosanoyloxy-4-oxo-butyl)-trimethyl-ammonium chloride CAS Name: [4-hydroxy-4-oxo-2-(1-oxoeicosoxy)butyl]-trimethylammonium chloride IUPAC Name: (4-hydroxy-2-icosanoyloxy-4-oxobutyl)-trimethylazanium chloride Traditional Name: (2-eicosanoyloxy-4-hydroxy-4-keto-butyl)-trimethyl-ammonium chloride Formula: C27H54ClNO4 MolecularWeight: 492.17496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C27H53NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4;/h25H,5-24H2,1-4H3;1H