1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxybenzofuran-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(6-methoxy-3-benzofuranyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N2O5/c1-27-18-3-4-19-17(14-28-21(19)12-18)11-23(26)25-8-6-24(7-9-25)13-16-2-5-20-22(10-16)30-15-29-20/h2-5,10,12,14H,6-9,11,13,15H2,1H3/p+1