[5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-yl-methanone Openeye Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-(1-piperidyl)methanone CAS Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]-(1-piperidinyl)methanone IUPAC Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone Traditional Name: [5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]-piperidino-methanone Formula: C28H33N2O5+ MolecularWeight: 477.57202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC6=C(C=C5)OCCO6)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC5=CC6=C(C=C5)OCCO6)O

InChI

InChI=1S/C28H32N2O5/c31-27(30-10-2-1-3-11-30)26-18-21-17-22(5-7-23(21)35-26)28(32)8-12-29(13-9-28)19-20-4-6-24-25(16-20)34-15-14-33-24/h4-7,16-18,32H,1-3,8-15,19H2/p+1