5-(piperazin-4-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(piperazin-4-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(piperazin-4-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-(1-piperazin-4-iumylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(piperazin-4-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-(piperazin-4-ium-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Formula: C14H16F3N4O+ MolecularWeight: 313.29825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C14H15F3N4O/c15-14(16,17)11-3-1-2-10(8-11)13-19-12(22-20-13)9-21-6-4-18-5-7-21/h1-3,8,18H,4-7,9H2/p+1