dodecyl-dimethyl-[3-(11-sulfanylundecanoylamino)propyl]azanium chloride

Systemtic Name: dodecyl-dimethyl-[3-(11-sulfanylundecanoylamino)propyl]azanium chloride Openeye Name: dodecyl-dimethyl-[3-(11-sulfanylundecanoylamino)propyl]ammonium chloride CAS Name: dodecyl-[3-[(11-mercapto-1-oxoundecyl)amino]propyl]-dimethylammonium chloride IUPAC Name: dodecyl-dimethyl-[3-(11-sulfanylundecanoylamino)propyl]azanium chloride Traditional Name: lauryl-[3-(11-mercaptoundecanoylamino)propyl]-dimethyl-ammonium chloride Formula: C28H59ClN2OS MolecularWeight: 507.29886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCS.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCS.[Cl-]

InChI

InChI=1S/C28H58N2OS.ClH/c1-4-5-6-7-8-9-11-14-17-20-25-30(2,3)26-22-24-29-28(31)23-19-16-13-10-12-15-18-21-27-32;/h4-27H2,1-3H3,(H-,29,31,32);1H