N-(2-chlorophenyl)-2-[4-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(5-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(5-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-3-methyl-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H22ClFN3O3+ MolecularWeight: 430.879783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClFN3O3/c1-14-16-12-15(24)6-7-19(16)30-21(14)22(29)27-10-8-26(9-11-27)13-20(28)25-18-5-3-2-4-17(18)23/h2-7,12H,8-11,13H2,1H3,(H,25,28)/p+1