3-phenyl-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[(1R)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(1R)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C18H21N6O+ MolecularWeight: 337.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C1=NC(=NO1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O/c1-14(17-21-16(22-25-17)15-6-3-2-4-7-15)23-10-12-24(13-11-23)18-19-8-5-9-20-18/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1