2-(2,4-dichlorophenyl)sulfanylethyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: 2-(2,4-dichlorophenyl)sulfanylethyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[2-(2,4-dichlorophenyl)sulfanylethyl]-dimethyl-ammonium bromide CAS Name: 2-[(2,4-dichlorophenyl)thio]ethyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[2-(2,4-dichlorophenyl)sulfanylethyl]-dimethylazanium bromide Traditional Name: benzyl-[2-[(2,4-dichlorophenyl)thio]ethyl]-dimethyl-ammonium bromide Formula: C17H20BrCl2NS MolecularWeight: 421.2224

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCSC1=C(C=C(C=C1)Cl)Cl)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+](C)(CCSC1=C(C=C(C=C1)Cl)Cl)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H20Cl2NS.BrH/c1-20(2,13-14-6-4-3-5-7-14)10-11-21-17-9-8-15(18)12-16(17)19;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1