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

Systemtic Name: methyl 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-carboxylate Openeye Name: methyl 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-4-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-4-carboxylic acid methyl ester Formula: C22H19FNO4+ MolecularWeight: 380.388963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FNO4/c1-26-21(25)15-7-9-24(10-8-15)13-17-11-19(23)12-18-14-27-22(28-20(17)18)16-5-3-2-4-6-16/h2-12,22H,13-14H2,1H3/q+1/t22-/m0/s1