2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(1,3-diphenylpyrazol-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=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

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