2-(1-hexadecanoylbenzimidazol-2-yl)sulfanylethyl-dimethyl-azanium chloride

Systemtic Name: 2-(1-hexadecanoylbenzimidazol-2-yl)sulfanylethyl-dimethyl-azanium chloride Openeye Name: 2-(1-hexadecanoylbenzimidazol-2-yl)sulfanylethyl-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[[1-(1-oxohexadecyl)-2-benzimidazolyl]thio]ethyl]ammonium chloride IUPAC Name: 2-(1-hexadecanoylbenzimidazol-2-yl)sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[(1-hexadecanoylbenzimidazol-2-yl)thio]ethyl-dimethyl-ammonium chloride Formula: C27H46ClN3OS MolecularWeight: 496.19164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C2=CC=CC=C2N=C1SCC[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C2=CC=CC=C2N=C1SCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C27H45N3OS.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(31)30-25-20-18-17-19-24(25)28-27(30)32-23-22-29(2)3;/h17-20H,4-16,21-23H2,1-3H3;1H