2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)C

InChI

InChI=1S/C22H25N3O2/c1-16-3-4-20-19(15-27-22(20)17(16)2)13-21(26)25-11-9-24(10-12-25)14-18-5-7-23-8-6-18/h3-8,15H,9-14H2,1-2H3/p+1