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

Systemtic Name: 2-(furan-2-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(2-furyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(2-furanyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(furan-2-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(2-furyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C16H19N5O2+2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H17N5O2/c1-2-6-17-14(5-1)21-9-7-20(8-10-21)12-15-18-19-16(23-15)13-4-3-11-22-13/h1-6,11H,7-10,12H2/p+2