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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H23FNO2/c1-2-6-17-9-11-25(12-10-17)15-19-13-21(24)14-20-16-26-23(27-22(19)20)18-7-4-3-5-8-18/h3-5,7-14,23H,2,6,15-16H2,1H3/q+1/t23-/m0/s1