2-(3-bromanylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(3-bromophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(3-bromophenoxy)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-bromophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(3-bromophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN2O2/c1-15-5-7-16(8-6-15)13(17)10-18-12-4-2-3-11(14)9-12/h2-4,9H,5-8,10H2,1H3/p+1