2-(6-methoxy-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-methoxybenzofuran-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(6-methoxy-3-benzofuranyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6-methoxybenzofuran-3-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N3O3/c1-25-16-5-6-17-15(14-26-18(17)13-16)12-20(24)23-10-8-22(9-11-23)19-4-2-3-7-21-19/h2-7,13-14H,8-12H2,1H3/p+1