2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H22N7O+ MolecularWeight: 316.38148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4

InChI

InChI=1S/C15H21N7O/c23-13(21-3-1-2-4-21)10-20-5-7-22(8-6-20)15-12-9-18-19-14(12)16-11-17-15/h9,11H,1-8,10H2,(H,16,17,18,19)/p+1