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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-methyl-pyridin-1-ium Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-methyl-pyridin-1-ium CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-methylpyridin-1-ium IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-methylpyridin-1-ium Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-methyl-pyridin-1-ium Formula: C21H19FNO2+ MolecularWeight: 336.379463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H19FNO2/c1-15-7-9-23(10-8-15)13-17-11-19(22)12-18-14-24-21(25-20(17)18)16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3/q+1/t21-/m0/s1