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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CS4)O

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CS4)O

InChI

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