N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[(2R)-7-(3,6-dimethyl-2-pyrazinyl)-4-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-coumaran-2-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=C3C(=C(C=C2)F)CC(O3)CNC(=O)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=C3C(=C(C=C2)F)C[C@@H](O3)CNC(=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H27FN4O2/c1-14-11-24-15(2)21(26-14)17-6-7-19(23)18-10-16(29-22(17)18)12-25-20(28)13-27-8-4-3-5-9-27/h6-7,11,16H,3-5,8-10,12-13H2,1-2H3,(H,25,28)/p+1/t16-/m1/s1