1-[(3-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(2,5-dimethoxybenzyl)piperazin-1-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H25BrN2O2/c1-24-19-6-7-20(25-2)17(13-19)15-23-10-8-22(9-11-23)14-16-4-3-5-18(21)12-16/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1