(2S)-N-[[(2S)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[(2S)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[(2S)-5-fluoro-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[(2S)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[(2S)-5-fluoro-7-(5-pyrimidyl)coumaran-2-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C20H24FN4O2+ MolecularWeight: 371.428563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

InChI

InChI=1S/C20H23FN4O2/c1-25-5-3-2-4-18(25)20(26)24-11-16-7-13-6-15(21)8-17(19(13)27-16)14-9-22-12-23-10-14/h6,8-10,12,16,18H,2-5,7,11H2,1H3,(H,24,26)/p+1/t16-,18-/m0/s1