(2S)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(3-fluoro-4-methoxy-phenyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(3-fluoro-4-methoxy-benzyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C25H27FN3O3+ MolecularWeight: 436.498583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)F

InChI

InChI=1S/C25H26FN3O3/c1-31-24-12-7-18(15-22(24)26)17-29-14-3-2-6-23(29)25(30)28-19-8-10-20(11-9-19)32-21-5-4-13-27-16-21/h4-5,7-13,15-16,23H,2-3,6,14,17H2,1H3,(H,28,30)/p+1/t23-/m0/s1