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

Systemtic Name: dimethyl-[3-(11-sulfanylundecanoylamino)propyl]-tetradecyl-azanium chloride Openeye Name: dimethyl-[3-(11-sulfanylundecanoylamino)propyl]-tetradecyl-ammonium chloride CAS Name: 3-[(11-mercapto-1-oxoundecyl)amino]propyl-dimethyl-tetradecylammonium chloride IUPAC Name: dimethyl-[3-(11-sulfanylundecanoylamino)propyl]-tetradecylazanium chloride Traditional Name: 3-(11-mercaptoundecanoylamino)propyl-dimethyl-myristyl-ammonium chloride Formula: C30H63ClN2OS MolecularWeight: 535.35202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62N2OS.ClH/c1-4-5-6-7-8-9-10-11-13-16-19-22-27-32(2,3)28-24-26-31-30(33)25-21-18-15-12-14-17-20-23-29-34;/h4-29H2,1-3H3,(H-,31,33,34);1H