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

Systemtic Name: 5-ethyl-1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-pyridin-1-ium Openeye Name: 5-ethyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-pyridin-1-ium CAS Name: 5-ethyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpyridin-1-ium IUPAC Name: 5-ethyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methylpyridin-1-ium Traditional Name: 5-ethyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-2-methyl-pyridin-1-ium Formula: C23H23FNO2+ MolecularWeight: 364.432623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H23FNO2/c1-3-17-10-9-16(2)25(13-17)14-19-11-21(24)12-20-15-26-23(27-22(19)20)18-7-5-4-6-8-18/h4-13,23H,3,14-15H2,1-2H3/q+1/t23-/m0/s1