2-[4-[3-(3-bromanylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[3-(3-bromanylphenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[3-(3-bromophenoxy)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H24BrFN3O3+ MolecularWeight: 465.335963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrFN3O3/c22-16-3-1-6-19(13-16)29-12-7-21(28)26-10-8-25(9-11-26)15-20(27)24-18-5-2-4-17(23)14-18/h1-6,13-14H,7-12,15H2,(H,24,27)/p+1