2-[4-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(5-chlorobenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(5-chlorobenzofuran-2-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H20ClFN3O3+ MolecularWeight: 416.853203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClFN3O3/c22-15-1-6-18-14(11-15)12-19(29-18)21(28)26-9-7-25(8-10-26)13-20(27)24-17-4-2-16(23)3-5-17/h1-6,11-12H,7-10,13H2,(H,24,27)/p+1