[azanyl-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]methylene]ammonium CAS Name: [amino-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methylene]ammonium Formula: C16H16FN2O2S+ MolecularWeight: 319.373843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC(=[NH2+])N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC(=[NH2+])N)F

InChI

InChI=1S/C16H15FN2O2S/c17-13-6-11-8-20-15(10-4-2-1-3-5-10)21-14(11)12(7-13)9-22-16(18)19/h1-7,15H,8-9H2,(H3,18,19)/p+1/t15-/m0/s1