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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28BrN2O5+ MolecularWeight: 480.37212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C22H27BrN2O5/c1-27-19-9-4-16(21(28-2)22(19)29-3)14-24-10-12-25(13-11-24)20(26)15-30-18-7-5-17(23)6-8-18/h4-9H,10-15H2,1-3H3/p+1