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

Systemtic Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C25H27N6O+ MolecularWeight: 427.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O/c1-32-23-10-8-20(9-11-23)24-21(19-31(28-24)22-6-3-2-4-7-22)18-29-14-16-30(17-15-29)25-26-12-5-13-27-25/h2-13,19H,14-18H2,1H3/p+1