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

Systemtic Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C22H26N3O+ MolecularWeight: 348.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=NO3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O/c1-17-7-6-10-22(18(17)2)25-13-11-24(12-14-25)16-20-15-21(23-26-20)19-8-4-3-5-9-19/h3-10,15H,11-14,16H2,1-2H3/p+1