(2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: (2R)-2-phenyl-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C17H20N7O+ MolecularWeight: 338.387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H19N7O/c18-15(25)14(12-4-2-1-3-5-12)23-6-8-24(9-7-23)17-13-10-21-22-16(13)19-11-20-17/h1-5,10-11,14H,6-9H2,(H2,18,25)(H,19,20,21,22)/p+1/t14-/m1/s1