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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carbonitrile Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carbonitrile CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carbonitrile Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carbonitrile Formula: C21H16FN2O2+ MolecularWeight: 347.362343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)C[N+]4=CC=CC(=C4)C#N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)C[N+]4=CC=CC(=C4)C#N)F

InChI

InChI=1S/C21H16FN2O2/c22-19-9-17(13-24-8-4-5-15(11-23)12-24)20-18(10-19)14-25-21(26-20)16-6-2-1-3-7-16/h1-10,12,21H,13-14H2/q+1/t21-/m0/s1