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

Systemtic Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-ium Openeye Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-ium CAS Name: 1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-ium IUPAC Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-ium Traditional Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazin-1-ium Formula: C21H26N6O+2 MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H24N6O/c1-25-7-6-22-20(25)15-27-10-8-26(9-11-27)14-17-13-23-24-21(17)19-12-16-4-2-3-5-18(16)28-19/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,24)/p+2