2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H24N6/c1-15-4-5-17(12-16(15)2)19-18(13-23-24-19)14-25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24)/p+1