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

Systemtic Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C20H21N4O3+ MolecularWeight: 365.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c25-24(26)18-8-6-17(7-9-18)23-12-10-22(11-13-23)15-19-14-20(21-27-19)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1