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

Systemtic Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C26H29N6+ MolecularWeight: 425.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H28N6/c1-20-9-10-21(2)24(17-20)32-19-23(25(29-32)22-7-4-3-5-8-22)18-30-13-15-31(16-14-30)26-27-11-6-12-28-26/h3-12,17,19H,13-16,18H2,1-2H3/p+1