1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C20H25N5O+2 MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O/c1-26-18-7-5-16(6-8-18)20-17(14-22-23-20)15-24-10-12-25(13-11-24)19-4-2-3-9-21-19/h2-9,14H,10-13,15H2,1H3,(H,22,23)/p+2