ethyl 4-[4,6-bis(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4,6-bis(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4,6-bis(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[4,6-bis(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4,6-bis(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4,6-bis(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C14H16F6N3O2+ MolecularWeight: 372.286159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=[NH+]2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=[NH+]2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H15F6N3O2/c1-2-25-12(24)23-5-3-22(4-6-23)11-8-9(13(15,16)17)7-10(21-11)14(18,19)20/h7-8H,2-6H2,1H3/p+1