3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,3-benzothiazol-3-ium Formula: C22H17FNO2S+ MolecularWeight: 378.439283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)C[N+]4=CSC5=CC=CC=C54)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)C[N+]4=CSC5=CC=CC=C54)F

InChI

InChI=1S/C22H17FNO2S/c23-18-10-16(12-24-14-27-20-9-5-4-8-19(20)24)21-17(11-18)13-25-22(26-21)15-6-2-1-3-7-15/h1-11,14,22H,12-13H2/q+1/t22-/m0/s1