4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-(4-piperonylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H20N6O2/c1-22-17-14(9-21-22)18(20-11-19-17)24-6-4-23(5-7-24)10-13-2-3-15-16(8-13)26-12-25-15/h2-3,8-9,11H,4-7,10,12H2,1H3/p+1