1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C20H20ClF3N5+ MolecularWeight: 422.85451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N5/c21-17-10-16(20(22,23)24)12-25-19(17)29-8-6-28(7-9-29)13-15-11-26-27-18(15)14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,26,27)/p+1