[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H18ClFN3O2+ MolecularWeight: 338.784423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H17ClFN3O2/c1-10-13(16(22)21-8-6-20(2)7-9-21)15(19-23-10)14-11(17)4-3-5-12(14)18/h3-5H,6-9H2,1-2H3/p+1