2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-5-(trifluoromethyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)-5-(trifluoromethyl)-1,3,4-thiadiazole Formula: C12H13F3N5S+ MolecularWeight: 316.32533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C12H12F3N5S/c13-12(14,15)10-17-18-11(21-10)20-7-5-19(6-8-20)9-3-1-2-4-16-9/h1-4H,5-8H2/p+1