ethyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)thiazole-5-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-piperazin-4-ium-1-yl-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester Formula: C11H15F3N3O2S+ MolecularWeight: 310.31591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C(F)(F)F

InChI

InChI=1S/C11H14F3N3O2S/c1-2-19-9(18)7-8(11(12,13)14)16-10(20-7)17-5-3-15-4-6-17/h15H,2-6H2,1H3/p+1