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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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