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

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenoxy)ethanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Traditional Name: 1-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-17-6-8-18(9-7-17)26-15-20(24)23-12-10-22(11-13-23)14-16-4-2-3-5-19(16)21/h2-9H,10-15H2,1H3/p+1