4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C23H23N8+ MolecularWeight: 411.48232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3N2)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C23H22N8/c1-2-6-17(7-3-1)31-23-18(14-26-31)22(24-16-25-23)30-12-10-29(11-13-30)15-21-27-19-8-4-5-9-20(19)28-21/h1-9,14,16H,10-13,15H2,(H,27,28)/p+1