[azanyl-(2-oxidanylideneoxolan-3-yl)sulfanyl-methylidene]-methyl-phenyl-azanium bromide

Systemtic Name: [azanyl-(2-oxidanylideneoxolan-3-yl)sulfanyl-methylidene]-methyl-phenyl-azanium bromide Openeye Name: [amino-(2-oxotetrahydrofuran-3-yl)sulfanyl-methylene]-methyl-phenyl-ammonium bromide CAS Name: [amino-[(2-oxo-3-oxolanyl)thio]methylidene]-methyl-phenylammonium bromide IUPAC Name: [amino-(2-oxooxolan-3-yl)sulfanylmethylidene]-methyl-phenylazanium bromide Traditional Name: [amino-[(2-ketotetrahydrofuran-3-yl)thio]methylene]-methyl-phenyl-ammonium bromide Formula: C12H15BrN2O2S MolecularWeight: 331.2287

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(N)SC1CCOC1=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+](=C(N)SC1CCOC1=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H14N2O2S.BrH/c1-14(9-5-3-2-4-6-9)12(13)17-10-7-8-16-11(10)15;/h2-6,10,13H,7-8H2,1H3;1H