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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-imidazol-3-ium Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-imidazol-3-ium CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methylimidazol-3-ium IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methylimidazol-3-ium Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-methyl-imidazol-3-ium Formula: C19H18FN2O2+ MolecularWeight: 325.356823

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C19H18FN2O2/c1-21-7-8-22(13-21)11-15-9-17(20)10-16-12-23-19(24-18(15)16)14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/q+1/t19-/m0/s1