3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propionate Formula: C12H15F3N4O2 MolecularWeight: 304.26831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])C2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])C2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C12H15F3N4O2/c13-12(14,15)9-1-3-16-11(17-9)19-7-5-18(6-8-19)4-2-10(20)21/h1,3H,2,4-8H2,(H,20,21)