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

Systemtic Name: 2-(6-ethyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-ethylbenzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(6-ethyl-3-benzofuranyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-ethyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6-ethylbenzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C21H23N3O2/c1-2-16-3-4-19-17(15-26-20(19)13-16)14-21(25)24-11-9-23(10-12-24)18-5-7-22-8-6-18/h3-8,13,15H,2,9-12,14H2,1H3/p+1