2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-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:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C

InChI

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