1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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