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

Systemtic Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Openeye Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine CAS Name: 1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine IUPAC Name: 1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Traditional Name: 1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperazine Formula: C21H25N6O+ MolecularWeight: 377.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CCN(CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CCN(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+1