1-(6-methylpyridin-1-ium-2-yl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(6-methylpyridin-1-ium-2-yl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(6-methylpyridin-1-ium-2-yl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(6-methyl-2-pyridin-1-iumyl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(6-methylpyridin-1-ium-2-yl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(6-methylpyridin-1-ium-2-yl)-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C26H29N5+2 MolecularWeight: 411.54196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5/c1-20-6-5-9-25(28-20)31-16-14-30(15-17-31)19-24-18-27-29-26(24)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3,(H,27,29)/p+2