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

Systemtic Name: 3-(11-ethanoylsulfanylundecanoylamino)propyl-dimethyl-(phenylmethyl)azanium Openeye Name: 3-(11-acetylsulfanylundecanoylamino)propyl-benzyl-dimethyl-ammonium CAS Name: 3-[[11-(acetylthio)-1-oxoundecyl]amino]propyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: 3-(11-acetylsulfanylundecanoylamino)propyl-benzyl-dimethylazanium Traditional Name: 3-[11-(acetylthio)undecanoylamino]propyl-benzyl-dimethyl-ammonium Formula: C25H43N2O2S+ MolecularWeight: 435.68612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O2S/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/p+1