N-[4-(2-fluoranylphenoxy)phenyl]-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C26H28FN2O4+ MolecularWeight: 451.509923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C26H27FN2O4/c1-32-22-10-11-24(30)19(16-22)17-29-14-12-18(13-15-29)26(31)28-20-6-8-21(9-7-20)33-25-5-3-2-4-23(25)27/h2-11,16,18,30H,12-15,17H2,1H3,(H,28,31)/p+1