[5-[1-[(3-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[1-[(3-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[1-[(3-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[1-(3-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=C5)F

Isomeric SMILES

C1C[NH+](CCC1(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O)CC5=CC(=CC=C5)F

InChI

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