2-(4-phenylpiperazin-1-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanimidate

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanimidate Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanimidate CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanimidate IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanimidate Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetimidate Formula: C15H16F3N5OS MolecularWeight: 371.38065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NN=C(S2)C(F)(F)F)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NN=C(S2)C(F)(F)F)[O-])C3=CC=CC=C3

InChI

InChI=1S/C15H16F3N5OS/c16-15(17,18)13-20-21-14(25-13)19-12(24)10-22-6-8-23(9-7-22)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21,24)