[[1-(2-ethoxy-2-oxidanylidene-ethyl)-1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-1-ium-4-yl]amino] 2-methyl-3-oxidanylidene-propanoate

Systemtic Name: [[1-(2-ethoxy-2-oxidanylidene-ethyl)-1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-1-ium-4-yl]amino] 2-methyl-3-oxidanylidene-propanoate Openeye Name: [[1-(2-ethoxy-2-oxo-ethyl)-1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-1-ium-4-yl]amino] 2-methyl-3-oxo-propanoate CAS Name: 2-methyl-3-oxopropanoic acid [[1-(2-ethoxy-2-oxoethyl)-1-(4-pyrimidinyl)-2-(trifluoromethyl)-4-piperidin-1-iumyl]amino] ester IUPAC Name: [[1-(2-ethoxy-2-oxoethyl)-1-pyrimidin-4-yl-2-(trifluoromethyl)piperidin-1-ium-4-yl]amino] 2-methyl-3-oxopropanoate Traditional Name: 3-keto-2-methyl-propionic acid [[1-(2-ethoxy-2-keto-ethyl)-1-(4-pyrimidyl)-2-(trifluoromethyl)piperidin-1-ium-4-yl]amino] ester Formula: C18H24F3N4O5+ MolecularWeight: 433.40217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCC(CC1C(F)(F)F)NOC(=O)C(C)C=O)C2=NC=NC=C2

Isomeric SMILES

CCOC(=O)C[N+]1(CCC(CC1C(F)(F)F)NOC(=O)C(C)C=O)C2=NC=NC=C2

InChI

InChI=1S/C18H24F3N4O5/c1-3-29-16(27)9-25(15-4-6-22-11-23-15)7-5-13(8-14(25)18(19,20)21)24-30-17(28)12(2)10-26/h4,6,10-14,24H,3,5,7-9H2,1-2H3/q+1