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

Systemtic Name: 3-ethyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-[(1S)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-ethyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-ethyl-5-[(1S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-ethyl-5-[(1S)-1-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]ethyl]-1,2,4-oxadiazole Formula: C18H29N6O+ MolecularWeight: 345.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C(C)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

Isomeric SMILES

CCC1=NOC(=N1)[C@H](C)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C

InChI

InChI=1S/C18H28N6O/c1-6-15-20-18(25-22-15)14(5)23-7-9-24(10-8-23)16-11-13(4)19-17(21-16)12(2)3/h11-12,14H,6-10H2,1-5H3/p+1/t14-/m0/s1