2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H24BrFN3O2+ MolecularWeight: 437.325863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H23BrFN3O2/c1-14-11-16(25-9-7-24(2)8-10-25)4-5-18(14)23-20(26)13-27-19-6-3-15(22)12-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1