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

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C21H18FN2O3+ MolecularWeight: 365.377623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)C[N+]4=CC=CC(=C4)C(=O)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)C[N+]4=CC=CC(=C4)C(=O)N)F

InChI

InChI=1S/C21H17FN2O3/c22-18-9-16(12-24-8-4-7-15(11-24)20(23)25)19-17(10-18)13-26-21(27-19)14-5-2-1-3-6-14/h1-11,21H,12-13H2,(H-,23,25)/p+1/t21-/m0/s1