2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylethyl-hexadecyl-dimethyl-azanium chloride

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylethyl-hexadecyl-dimethyl-azanium chloride Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanylethyl-hexadecyl-dimethyl-ammonium chloride CAS Name: 2-[(2-amino-2-oxoethyl)thio]ethyl-hexadecyl-dimethylammonium chloride IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanylethyl-hexadecyl-dimethylazanium chloride Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]ethyl-cetyl-dimethyl-ammonium chloride Formula: C22H47ClN2OS MolecularWeight: 423.13938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCSCC(=O)N.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCSCC(=O)N.[Cl-]

InChI

InChI=1S/C22H46N2OS.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(2,3)19-20-26-21-22(23)25;/h4-21H2,1-3H3,(H-,23,25);1H