hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium chloride

Systemtic Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium chloride Openeye Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)ammonium chloride CAS Name: hexadecyl-dimethyl-[2-(phenylthio)ethyl]ammonium chloride IUPAC Name: hexadecyl-dimethyl-(2-phenylsulfanylethyl)azanium chloride Traditional Name: cetyl-dimethyl-[2-(phenylthio)ethyl]ammonium chloride Formula: C26H48ClNS MolecularWeight: 442.18402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCSC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C26H48NS.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3)24-25-28-26-21-18-17-19-22-26;/h17-19,21-22H,4-16,20,23-25H2,1-3H3;1H/q+1;/p-1