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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C26H29N5O+2 MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O/c1-32-24-12-10-21(11-13-24)26-22(20-31(28-26)23-7-3-2-4-8-23)19-29-15-17-30(18-16-29)25-9-5-6-14-27-25/h2-14,20H,15-19H2,1H3/p+2