1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-chloro-2-hydroxy-benzyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C24H25ClN3O3+ MolecularWeight: 438.9266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O3/c25-19-3-8-23(29)18(14-19)16-28-12-9-17(10-13-28)24(30)27-20-4-6-21(7-5-20)31-22-2-1-11-26-15-22/h1-8,11,14-15,17,29H,9-10,12-13,16H2,(H,27,30)/p+1