2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethylazanium Openeye Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethylammonium CAS Name: 2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]ethylammonium IUPAC Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethylazanium Traditional Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]ethylammonium Formula: C11H18F3N5+2 MolecularWeight: 277.28933

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC[NH3+])C2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC[NH3+])C2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C11H16F3N5/c12-11(13,14)9-1-3-16-10(17-9)19-7-5-18(4-2-15)6-8-19/h1,3H,2,4-8,15H2/p+2