3-(11-ethanoylsulfanylundecanoylamino)propyl-dimethyl-tetradecyl-azanium bromide

Systemtic Name: 3-(11-ethanoylsulfanylundecanoylamino)propyl-dimethyl-tetradecyl-azanium bromide Openeye Name: 3-(11-acetylsulfanylundecanoylamino)propyl-dimethyl-tetradecyl-ammonium bromide CAS Name: 3-[[11-(acetylthio)-1-oxoundecyl]amino]propyl-dimethyl-tetradecylammonium bromide IUPAC Name: 3-(11-acetylsulfanylundecanoylamino)propyl-dimethyl-tetradecylazanium bromide Traditional Name: 3-[11-(acetylthio)undecanoylamino]propyl-dimethyl-myristyl-ammonium bromide Formula: C32H65BrN2O2S MolecularWeight: 621.8397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCSC(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCSC(=O)C.[Br-]

InChI

InChI=1S/C32H64N2O2S.BrH/c1-5-6-7-8-9-10-11-12-14-17-20-23-28-34(3,4)29-25-27-33-32(36)26-22-19-16-13-15-18-21-24-30-37-31(2)35;/h5-30H2,1-4H3;1H