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

Systemtic Name: 1-[1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-yl]ethanone Openeye Name: 1-[1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-yl]ethanone CAS Name: 1-[1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-yl]ethanone Traditional Name: 1-[1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-yl]ethanone Formula: C22H19FNO3+ MolecularWeight: 364.389563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FNO3/c1-15(25)16-7-9-24(10-8-16)13-18-11-20(23)12-19-14-26-22(27-21(18)19)17-5-3-2-4-6-17/h2-12,22H,13-14H2,1H3/q+1/t22-/m0/s1