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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-1,3-benzothiazol-3-ium Formula: C23H19FNO2S+ MolecularWeight: 392.465863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC3=C4C(=CC(=C3)F)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C23H19FNO2S/c1-15-25(20-9-5-6-10-21(20)28-15)13-17-11-19(24)12-18-14-26-23(27-22(17)18)16-7-3-2-4-8-16/h2-12,23H,13-14H2,1H3/q+1/t23-/m0/s1