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

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C18H19ClN3O2+ MolecularWeight: 344.81536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClN3O2/c19-15-4-1-2-5-16(15)22-9-7-21(8-10-22)13-14-12-18(24-20-14)17-6-3-11-23-17/h1-6,11-12H,7-10,13H2/p+1