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

Systemtic Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-oxidanyl-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(2-thienylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(3-fluorophenyl)ethyl]-5-[4-hydroxy-1-(2-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=C4)F)O)CC5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)NCCC4=CC(=CC=C4)F)O)CC5=CC=CS5

InChI

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