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

Systemtic Name: 3-(11-ethanoylsulfanylundecanoylamino)propyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: 3-(11-acetylsulfanylundecanoylamino)propyl-benzyl-dimethyl-ammonium bromide CAS Name: 3-[[11-(acetylthio)-1-oxoundecyl]amino]propyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: 3-(11-acetylsulfanylundecanoylamino)propyl-benzyl-dimethylazanium bromide Traditional Name: 3-[11-(acetylthio)undecanoylamino]propyl-benzyl-dimethyl-ammonium bromide Formula: C25H43BrN2O2S MolecularWeight: 515.59012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CC(=O)SCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C25H42N2O2S.BrH/c1-23(28)30-21-14-9-7-5-4-6-8-13-18-25(29)26-19-15-20-27(2,3)22-24-16-11-10-12-17-24;/h10-12,16-17H,4-9,13-15,18-22H2,1-3H3;1H