diethyl 2-[2-[[3-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]propanedioate

Systemtic Name: diethyl 2-[2-[[3-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]propanedioate Openeye Name: diethyl 2-[2-[[3-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]propanedioate CAS Name: 2-[2-[[3-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyliminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[[3-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]propanedioate Traditional Name: 2-[2-[[3-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyliminomethyl]malonic acid diethyl ester Formula: C16H21F3N3O4+ MolecularWeight: 376.35085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCCNC1=C(C=CC=[NH+]1)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C=NCCNC1=C(C=CC=[NH+]1)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H20F3N3O4/c1-3-25-14(23)11(15(24)26-4-2)10-20-8-9-22-13-12(16(17,18)19)6-5-7-21-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,21,22)/p+1