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

Systemtic Name: 5-(furan-2-yl)-3-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-(2-furyl)-3-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-(2-furanyl)-3-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(furan-2-yl)-3-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-(2-furyl)-3-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C18H19N4O4+ MolecularWeight: 355.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c23-22(24)16-5-2-1-4-15(16)21-9-7-20(8-10-21)13-14-12-18(26-19-14)17-6-3-11-25-17/h1-6,11-12H,7-10,13H2/p+1