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

Systemtic Name: (3S)-N-[[(2S)-5-fluoranyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[(2S)-5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[[(2S)-5-fluoro-7-(2-pyridyl)coumaran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)F)C4=CC=CC=N4

InChI

InChI=1S/C21H24FN3O2/c1-25-8-4-5-14(13-25)21(26)24-12-17-10-15-9-16(22)11-18(20(15)27-17)19-6-2-3-7-23-19/h2-3,6-7,9,11,14,17H,4-5,8,10,12-13H2,1H3,(H,24,26)/p+1/t14-,17-/m0/s1