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

Systemtic Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine 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=CN=C5

Isomeric SMILES

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

InChI

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