2-(4-bromanylphenoxy)-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C22H28BrN2O5+ MolecularWeight: 480.37212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC)OC

InChI

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