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

Systemtic Name: [azanyl-(2-oxidanylideneoxolan-3-yl)sulfanyl-methylidene]-ethyl-phenyl-azanium bromide Openeye Name: [amino-(2-oxotetrahydrofuran-3-yl)sulfanyl-methylene]-ethyl-phenyl-ammonium bromide CAS Name: [amino-[(2-oxo-3-oxolanyl)thio]methylidene]-ethyl-phenylammonium bromide IUPAC Name: [amino-(2-oxooxolan-3-yl)sulfanylmethylidene]-ethyl-phenylazanium bromide Traditional Name: [amino-[(2-ketotetrahydrofuran-3-yl)thio]methylene]-ethyl-phenyl-ammonium bromide Formula: C13H17BrN2O2S MolecularWeight: 345.25528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2S.BrH/c1-2-15(10-6-4-3-5-7-10)13(14)18-11-8-9-17-12(11)16;/h3-7,11,14H,2,8-9H2,1H3;1H