2-[4-[[3-(1H-pyrazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(1H-pyrazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[3-(1H-pyrazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-(1H-pyrazol-4-yl)phenyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-(1H-pyrazol-4-yl)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[3-(1H-pyrazol-4-yl)benzyl]piperazin-4-ium-1-yl]pyrimidine Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C3=CNN=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C3=CNN=C3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6/c1-3-15(11-16(4-1)17-12-21-22-13-17)14-23-7-9-24(10-8-23)18-19-5-2-6-20-18/h1-6,11-13H,7-10,14H2,(H,21,22)/p+1