3-tert-butyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1S)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H24N6O/c1-12(13-19-14(20-23-13)16(2,3)4)21-8-10-22(11-9-21)15-17-6-5-7-18-15/h5-7,12H,8-11H2,1-4H3/p+1/t12-/m0/s1