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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FNO4/c1-26-21(25)16-8-5-9-24(12-16)13-17-10-19(23)11-18-14-27-22(28-20(17)18)15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3/q+1/t22-/m1/s1