6-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-(2,2,2-trifluoroethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]amine Formula: C11H17F3N4+2 MolecularWeight: 262.27469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15F3N4/c12-11(13,14)8-17-3-5-18(6-4-17)10-2-1-9(15)7-16-10/h1-2,7H,3-6,8,15H2/p+2