N-(2-methylpropyl)-5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]-N-isobutyl-benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-N-(2-methylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-(2-thenyl)piperidin-1-ium-4-yl]-N-isobutyl-coumarilamide Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC=CS4)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(O1)C=CC(=C2)C3(CC[NH+](CC3)CC4=CC=CS4)O

InChI

InChI=1S/C23H28N2O3S/c1-16(2)14-24-22(26)21-13-17-12-18(5-6-20(17)28-21)23(27)7-9-25(10-8-23)15-19-4-3-11-29-19/h3-6,11-13,16,27H,7-10,14-15H2,1-2H3,(H,24,26)/p+1