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

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methoxyphenoxy)ethanone IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenoxy)ethanone Traditional Name: 1-[4-(3-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=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

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