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

Systemtic Name: 1-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Openeye Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium Traditional Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium Formula: C12H17F3N3+ MolecularWeight: 260.27869

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3/c1-2-17-5-7-18(8-6-17)11-4-3-10(9-16-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3/p+1