N-[[(2R)-5-fluoranyl-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[[(2R)-5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[[(2R)-5-fluoro-7-(3-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[[(2R)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[[(2R)-5-fluoro-7-(3-pyridyl)coumaran-2-yl]methyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C25H31FN3O3+ MolecularWeight: 440.530343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CN=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)F)C4=CN=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C25H30FN3O3/c26-20-13-19-14-21(32-23(19)22(15-20)18-5-4-8-27-16-18)17-28-24(30)25(6-2-1-3-7-25)29-9-11-31-12-10-29/h4-5,8,13,15-16,21H,1-3,6-7,9-12,14,17H2,(H,28,30)/p+1/t21-/m1/s1