N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24ClFN3O4+ MolecularWeight: 436.884363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F)OC)Cl

InChI

InChI=1S/C21H23ClFN3O4/c1-29-18-12-17(19(30-2)11-15(18)22)24-20(27)13-25-7-9-26(10-8-25)21(28)14-5-3-4-6-16(14)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,27)/p+1