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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O2/c1-24-19-7-6-17(13-20(19)25-2)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