hexadecyl-dimethyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]azanium chloride

Systemtic Name: hexadecyl-dimethyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]azanium chloride Openeye Name: hexadecyl-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-dimethyl-ammonium chloride CAS Name: hexadecyl-[(2S)-1-hydroxy-4-methylpentan-2-yl]-dimethylammonium chloride IUPAC Name: hexadecyl-[(2S)-1-hydroxy-4-methylpentan-2-yl]-dimethylazanium chloride Traditional Name: cetyl-dimethyl-[(1S)-3-methyl-1-methylol-butyl]ammonium chloride Formula: C24H52ClNO MolecularWeight: 406.12878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(CC(C)C)CO.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H](CC(C)C)CO.[Cl-]

InChI

InChI=1S/C24H52NO.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4,5)24(22-26)21-23(2)3;/h23-24,26H,6-22H2,1-5H3;1H/q+1;/p-1/t24-;/m0./s1