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

Systemtic Name: 2-(4-nitrophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(4-nitrophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(4-nitrophenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-nitrophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(4-nitrophenyl)-5-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,3,4-oxadiazole Formula: C18H19N6O3+ MolecularWeight: 367.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H18N6O3/c25-24(26)15-6-4-14(5-7-15)18-21-20-17(27-18)13-22-9-11-23(12-10-22)16-3-1-2-8-19-16/h1-8H,9-13H2/p+1