1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-6-methoxy-phenyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-6-methoxy-benzyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4)O

InChI

InChI=1S/C25H27N3O4/c1-31-24-6-2-5-23(29)22(24)17-28-14-11-18(12-15-28)25(30)27-19-7-9-20(10-8-19)32-21-4-3-13-26-16-21/h2-10,13,16,18,29H,11-12,14-15,17H2,1H3,(H,27,30)/p+1