[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H20N4O2S/c26-21(19-6-3-11-28-19)25-9-7-24(8-10-25)14-16-13-22-23-20(16)18-12-15-4-1-2-5-17(15)27-18/h1-6,11-13H,7-10,14H2,(H,22,23)/p+1