2-(4-bromanylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C25H26BrN2O3+ MolecularWeight: 482.38954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O3/c26-21-9-11-22(12-10-21)30-19-25(29)28-15-13-27(14-16-28)18-20-5-4-8-24(17-20)31-23-6-2-1-3-7-23/h1-12,17H,13-16,18-19H2/p+1