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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

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