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

Systemtic Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C20H21ClN3O+ MolecularWeight: 354.85324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O/c21-18-8-4-5-9-20(18)24-12-10-23(11-13-24)15-17-14-19(22-25-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1