[(E)-3-azanyl-3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]prop-2-enylidene]-dimethyl-azanium

Systemtic Name: [(E)-3-azanyl-3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]prop-2-enylidene]-dimethyl-azanium Openeye Name: [(E)-3-amino-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]prop-2-enylidene]-dimethyl-ammonium CAS Name: [(E)-3-amino-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]prop-2-enylidene]-dimethylammonium IUPAC Name: [(E)-3-amino-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]prop-2-enylidene]-dimethylazanium Traditional Name: [(E)-3-amino-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]prop-2-enylidene]-dimethyl-ammonium Formula: C14H18FN2O2S+ MolecularWeight: 297.368323

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CC=C(N)SCC1=C2C(=CC(=C1)F)COCO2)C

Isomeric SMILES

C[N+](=C/C=C(\N)/SCC1=C2C(=CC(=C1)F)COCO2)C

InChI

InChI=1S/C14H17FN2O2S/c1-17(2)4-3-13(16)20-8-11-6-12(15)5-10-7-18-9-19-14(10)11/h3-6,16H,7-9H2,1-2H3/p+1