1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

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