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

Systemtic Name: [5-[1-[(3,5-dimethoxyphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-yl-methanone Openeye Name: [5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone CAS Name: [5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-[1-[(3,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-thiomorpholin-4-ylmethanone Traditional Name: [5-[1-(3,5-dimethoxybenzyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-thiomorpholino-methanone Formula: C27H33N2O5S+ MolecularWeight: 497.62632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)N5CCSCC5)O)OC

InChI

InChI=1S/C27H32N2O5S/c1-32-22-13-19(14-23(17-22)33-2)18-28-7-5-27(31,6-8-28)21-3-4-24-20(15-21)16-25(34-24)26(30)29-9-11-35-12-10-29/h3-4,13-17,31H,5-12,18H2,1-2H3/p+1