N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H19BrF2N3O+ MolecularWeight: 411.263766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=CC=C3F

InChI

InChI=1S/C18H18BrF2N3O/c19-13-5-6-16(15(21)11-13)22-18(25)12-23-7-9-24(10-8-23)17-4-2-1-3-14(17)20/h1-6,11H,7-10,12H2,(H,22,25)/p+1