2-(4-bromanylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O2/c1-2-23-11-13-24(14-12-23)18-7-5-17(6-8-18)22-20(25)15-26-19-9-3-16(21)4-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)/p+1