5-(3-piperidin-1-ium-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(3-piperidin-1-ium-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(3-piperidin-1-ium-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-[3-(1-piperidin-1-iumyl)propyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(3-piperidin-1-ium-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-(3-piperidin-1-ium-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Formula: C17H21F3N3O+ MolecularWeight: 340.36335

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CCCC2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H20F3N3O/c18-17(19,20)14-8-6-13(7-9-14)16-21-15(24-22-16)5-4-12-23-10-2-1-3-11-23/h6-9H,1-5,10-12H2/p+1