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

Systemtic Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[(1R)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-[(1R)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-1,3,4-oxadiazole Formula: C18H20N7O3+ MolecularWeight: 382.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H19N7O3/c1-13(23-9-11-24(12-10-23)18-19-7-2-8-20-18)16-21-22-17(28-16)14-3-5-15(6-4-14)25(26)27/h2-8,13H,9-12H2,1H3/p+1/t13-/m1/s1