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

Systemtic Name: 2-(6-ethyl-1-benzofuran-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(6-ethylbenzofuran-3-yl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(6-ethyl-3-benzofuranyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(6-ethyl-1-benzofuran-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(6-ethylbenzofuran-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:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

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