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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-4-ium Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-4-ium CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-4-ium IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-4-ium Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-4-ium Formula: C10H12ClF3N3+ MolecularWeight: 266.67059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2/p+1