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

Systemtic Name: 3-(furan-2-yl)-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(2-furyl)-1,2,4-oxadiazole CAS Name: 3-(2-furanyl)-5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(2-furyl)-1,2,4-oxadiazole Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2/c1-2-5-15(6-3-1)13-21-8-10-22(11-9-21)14-17-19-18(20-24-17)16-7-4-12-23-16/h1-7,12H,8-11,13-14H2/p+1