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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-26-19-7-8-20(27-2)16(13-19)14-23-9-11-24(12-10-23)21(25)15-28-18-5-3-17(22)4-6-18/h3-8,13H,9-12,14-15H2,1-2H3/p+1