5-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-cyclopentyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-N-cyclopentyl-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-cyclopentyl-benzofuran-2-carboxamide CAS Name: 5-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-N-cyclopentyl-2-benzofurancarboxamide IUPAC Name: 5-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-N-cyclopentyl-1-benzofuran-2-carboxamide Traditional Name: 5-[1-(5-chloro-2-hydroxy-benzyl)-4-hydroxy-piperidin-1-ium-4-yl]-N-cyclopentyl-coumarilamide Formula: C26H30ClN2O4+ MolecularWeight: 469.9804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)O)O

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)O)O

InChI

InChI=1S/C26H29ClN2O4/c27-20-6-7-22(30)18(14-20)16-29-11-9-26(32,10-12-29)19-5-8-23-17(13-19)15-24(33-23)25(31)28-21-3-1-2-4-21/h5-8,13-15,21,30,32H,1-4,9-12,16H2,(H,28,31)/p+1