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

Systemtic Name: 5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c21-16-6-7-19(20(12-16)25(26)27)24-10-8-23(9-11-24)14-17-13-18(22-28-17)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1