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

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C20H22F3N5+2 MolecularWeight: 389.41739

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N5/c21-20(22,23)17-6-7-18(24-13-17)28-10-8-27(9-11-28)14-16-12-25-26-19(16)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,25,26)/p+2