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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-prop-2-enyl-imidazol-1-ium Openeye Name: 1-allyl-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]imidazol-3-ium CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-prop-2-enylimidazol-1-ium IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-prop-2-enylimidazol-1-ium Traditional Name: 1-allyl-3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]imidazol-3-ium Formula: C21H20FN2O2+ MolecularWeight: 351.394103

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C[N+](=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C=C[N+](=C1)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20FN2O2/c1-2-8-23-9-10-24(15-23)13-17-11-19(22)12-18-14-25-21(26-20(17)18)16-6-4-3-5-7-16/h2-7,9-12,15,21H,1,8,13-14H2/q+1/t21-/m0/s1