1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium CAS Name: 1-(phenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine-1,4-diium Formula: C21H26N4+2 MolecularWeight: 334.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4/c1-3-7-18(8-4-1)16-24-11-13-25(14-12-24)17-20-15-22-23-21(20)19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,23)/p+2