N-[2-(2-fluorophenyl)ethyl]-5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(2-fluorophenyl)ethyl]-5-[4-oxidanyl-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(2-fluorophenyl)ethyl]-5-[4-hydroxy-1-(3-thienylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[2-(2-fluorophenyl)ethyl]-5-[4-hydroxy-1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(2-fluorophenyl)ethyl]-5-[4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(2-fluorophenyl)ethyl]-5-[4-hydroxy-1-(3-thenyl)piperidin-1-ium-4-yl]coumarilamide Formula: C27H28FN2O3S+ MolecularWeight: 479.586223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC=CC=C4F)O)CC5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC=CC=C4F)O)CC5=CSC=C5

InChI

InChI=1S/C27H27FN2O3S/c28-23-4-2-1-3-20(23)7-11-29-26(31)25-16-21-15-22(5-6-24(21)33-25)27(32)9-12-30(13-10-27)17-19-8-14-34-18-19/h1-6,8,14-16,18,32H,7,9-13,17H2,(H,29,31)/p+1