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

Systemtic Name: ethyl 4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C13H17F3N3O2+ MolecularWeight: 304.28819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O2/c1-2-21-12(20)19-7-5-18(6-8-19)11-4-3-10(9-17-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3/p+1