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

Systemtic Name: ethyl 2-piperazin-4-ium-1-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-piperazin-4-ium-1-yl-4-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-4-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-piperazin-4-ium-1-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate Traditional Name: 2-piperazin-4-ium-1-yl-4-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acid ethyl ester Formula: C17H19F3N3O2S+ MolecularWeight: 386.41187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S/c1-2-25-15(24)14-13(11-3-5-12(6-4-11)17(18,19)20)22-16(26-14)23-9-7-21-8-10-23/h3-6,21H,2,7-10H2,1H3/p+1