(Z)-(4-chlorophenyl)methyl-[(methylazaniumyl)-propylsulfanyl-methylidene]azanium dibromide

Systemtic Name: (Z)-(4-chlorophenyl)methyl-[(methylazaniumyl)-propylsulfanyl-methylidene]azanium dibromide Openeye Name: (Z)-(4-chlorophenyl)methyl-[(methylammonio)-propylsulfanyl-methylene]ammonium dibromide CAS Name: (Z)-(4-chlorophenyl)methyl-[(methylammonio)-(propylthio)methylidene]ammonium dibromide IUPAC Name: (Z)-(4-chlorophenyl)methyl-[(methylazaniumyl)-propylsulfanylmethylidene]azanium dibromide Traditional Name: (Z)-(4-chlorobenzyl)-[(methylammonio)-(propylthio)methylene]ammonium dibromide Formula: C12H19Br2ClN2S MolecularWeight: 418.61866

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=[NH+]CC1=CC=C(C=C1)Cl)[NH2+]C.[Br-].[Br-]

Isomeric SMILES

CCCS/C(=[NH+]\CC1=CC=C(C=C1)Cl)/[NH2+]C.[Br-].[Br-]

InChI

InChI=1S/C12H17ClN2S.2BrH/c1-3-8-16-12(14-2)15-9-10-4-6-11(13)7-5-10;;/h4-7H,3,8-9H2,1-2H3,(H,14,15);2*1H