2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-(3-pyrazolo[1,5-a]pyrimidinylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperazin-4-ium-1-yl]phenol Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3N=CC=CN3N=C2)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3N=CC=CN3N=C2)C4=CC=CC=C4O

InChI

InChI=1S/C17H19N5O/c23-16-5-2-1-4-15(16)21-10-8-20(9-11-21)13-14-12-19-22-7-3-6-18-17(14)22/h1-7,12,23H,8-11,13H2/p+1