(3S)-N-[[(2S)-4-fluoranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[[(2S)-4-fluoranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[(2S)-4-fluoro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[(2S)-4-fluoro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[[(2S)-4-fluoro-7-(4-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(C=CC(=C3O2)C4=CC=NC=C4)F

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)NC[C@@H]2CC3=C(C=CC(=C3O2)C4=CC=NC=C4)F

InChI

InChI=1S/C21H24FN3O2/c1-25-10-2-3-15(13-25)21(26)24-12-16-11-18-19(22)5-4-17(20(18)27-16)14-6-8-23-9-7-14/h4-9,15-16H,2-3,10-13H2,1H3,(H,24,26)/p+1/t15-,16-/m0/s1