6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7H-purine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-7H-purine CAS Name: 6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-7H-purine Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-7H-purine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H18N6/c1-2-4-13(5-3-1)10-21-6-8-22(9-7-21)16-14-15(18-11-17-14)19-12-20-16/h1-5,11-12H,6-10H2,(H,17,18,19,20)/p+1