1-[4-[4-[2-(3-bromanylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(3-bromanylphenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[2-(3-bromophenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[2-(3-bromophenoxy)ethyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(3-bromophenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[2-(3-bromophenoxy)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-16(24)17-5-7-19(8-6-17)23-11-9-22(10-12-23)13-14-25-20-4-2-3-18(21)15-20/h2-8,15H,9-14H2,1H3/p+1