1-[[2,3-bis(fluoranyl)phenyl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,3-difluorophenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,3-difluorophenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2,3-difluorobenzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C24H24F2N3O2+ MolecularWeight: 424.463066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=C(C(=CC=C4)F)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C24H23F2N3O2/c25-21-8-4-5-18(23(21)26)16-29-13-11-17(12-14-29)24(30)28-19-9-10-22(27-15-19)31-20-6-2-1-3-7-20/h1-10,15,17H,11-14,16H2,(H,28,30)/p+1