2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Formula: C14H16F3N4S+ MolecularWeight: 329.36385

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NN=C(S3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C14H15F3N4S/c15-14(16,17)12-18-19-13(22-12)21-8-6-20(7-9-21)10-11-4-2-1-3-5-11/h1-5H,6-10H2/p+1