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

Systemtic Name: trimethyl-[(2R)-2-octadecanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [(2R)-4-hydroxy-2-octadecanoyloxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-hydroxy-4-oxo-2-(1-oxooctadecoxy)butyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-hydroxy-2-octadecanoyloxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2R)-4-hydroxy-4-keto-2-stearoyloxy-butyl]-trimethyl-ammonium chloride Formula: C25H50ClNO4 MolecularWeight: 464.1218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4;/h23H,5-22H2,1-4H3;1H/t23-;/m1./s1