2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C24H25N6+ MolecularWeight: 397.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C24H24N6/c1-2-5-19(6-3-1)20-7-9-21(10-8-20)23-22(17-27-28-23)18-29-13-15-30(16-14-29)24-25-11-4-12-26-24/h1-12,17H,13-16,18H2,(H,27,28)/p+1