6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7H-purine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7H-purine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7H-purine Traditional Name: 6-(4-piperonylpiperazin-4-ium-1-yl)-7H-purine Formula: C17H19N6O2+ MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C17H18N6O2/c1-2-13-14(25-11-24-13)7-12(1)8-22-3-5-23(6-4-22)17-15-16(19-9-18-15)20-10-21-17/h1-2,7,9-10H,3-6,8,11H2,(H,18,19,20,21)/p+1