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

Systemtic Name: [5-[1-(2-methylpropyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[4-hydroxy-1-(2-methylpropyl)-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[4-hydroxy-1-(2-methylpropyl)piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-(4-hydroxy-1-isobutyl-piperidin-1-ium-4-yl)benzofuran-2-yl]-thiomorpholino-methanone Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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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)N4CCSCC4)O

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)N4CCSCC4)O

InChI

InChI=1S/C22H30N2O3S/c1-16(2)15-23-7-5-22(26,6-8-23)18-3-4-19-17(13-18)14-20(27-19)21(25)24-9-11-28-12-10-24/h3-4,13-14,16,26H,5-12,15H2,1-2H3/p+1