3-[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole

Systemtic Name: 3-[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole Openeye Name: 3-[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole CAS Name: 3-[4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]-4-methyl-1,2,5-oxadiazole IUPAC Name: 3-[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole Traditional Name: 3-[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-4-methyl-furazan Formula: C19H21N6O2+ MolecularWeight: 365.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NON=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=NON=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C19H20N6O2/c1-13-19(23-27-22-13)25-8-6-24(7-9-25)12-15-11-20-21-18(15)17-10-14-4-2-3-5-16(14)26-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21)/p+1