2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=NC2=NN=C(S2)C3=CC=CC=C3)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=NC2=NN=C(S2)C3=CC=CC=C3)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5OS/c21-16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-18(27)22-20-24-23-19(28-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,24,27)