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

Systemtic Name: 3-tert-butyl-5-[(1R)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1R)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1R)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1R)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1R)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]ethyl]-1,2,4-oxadiazole Formula: C20H33N6O+ MolecularWeight: 373.51562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(C)C3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)[C@H](C)C3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C20H32N6O/c1-13(2)17-21-14(3)12-16(22-17)26-10-8-25(9-11-26)15(4)18-23-19(24-27-18)20(5,6)7/h12-13,15H,8-11H2,1-7H3/p+1/t15-/m1/s1