[(2R)-2-(2-hexyldecanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-2-(2-hexyldecanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-(2-hexyldecanoyloxy)-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-2-(2-hexyl-1-oxodecoxy)-4-hydroxy-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-2-(2-hexyldecanoyloxy)-4-hydroxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2R)-2-(2-hexyldecanoyloxy)-4-hydroxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C23H46ClNO4 MolecularWeight: 436.06864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C23H45NO4.ClH/c1-6-8-10-12-13-15-17-20(16-14-11-9-7-2)23(27)28-21(18-22(25)26)19-24(3,4)5;/h20-21H,6-19H2,1-5H3;1H/t20?,21-;/m1./s1