3-tert-butyl-5-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]-1,2,4-oxadiazole Formula: C19H31N6O+ MolecularWeight: 359.48904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C19H30N6O/c1-13(2)17-20-14(3)11-15(21-17)25-9-7-24(8-10-25)12-16-22-18(23-26-16)19(4,5)6/h11,13H,7-10,12H2,1-6H3/p+1