N-[4-(2-fluoranylphenoxy)phenyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C26H28FN2O4+ MolecularWeight: 451.509923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

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