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

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C12H18F3N3O+2 MolecularWeight: 277.28603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2/p+2