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

Systemtic Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[(1R)-1-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-[(1R)-1-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Formula: C19H22N6O3+2 MolecularWeight: 382.41638

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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=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N6O3/c1-14(23-10-12-24(13-11-23)17-4-2-3-9-20-17)18-21-22-19(28-18)15-5-7-16(8-6-15)25(26)27/h2-9,14H,10-13H2,1H3/p+2/t14-/m1/s1