[5-[1-[(2-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[1-[(2-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[1-[(2-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[1-(2-fluorobenzyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C25H28FN2O3S+ MolecularWeight: 455.564823

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)CC5=CC=CC=C5F

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)CC5=CC=CC=C5F

InChI

InChI=1S/C25H27FN2O3S/c26-21-4-2-1-3-18(21)17-27-9-7-25(30,8-10-27)20-5-6-22-19(15-20)16-23(31-22)24(29)28-11-13-32-14-12-28/h1-6,15-16,30H,7-14,17H2/p+1