2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C22H24BrFN3O3+ MolecularWeight: 477.346663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrFN3O3/c23-17-6-4-16(5-7-17)20(28)8-9-22(30)27-12-10-26(11-13-27)15-21(29)25-19-3-1-2-18(24)14-19/h1-7,14H,8-13,15H2,(H,25,29)/p+1