methyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C11H14F3N4O2+ MolecularWeight: 291.24967

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C11H13F3N4O2/c1-20-9(19)7-6-16-10(17-8(7)11(12,13)14)18-4-2-15-3-5-18/h6,15H,2-5H2,1H3/p+1