4-[[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(3-bromobenzyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H25BrN2O3/c1-25-18-11-16(12-19(26-2)20(18)24)14-23-8-6-22(7-9-23)13-15-4-3-5-17(21)10-15/h3-5,10-12,24H,6-9,13-14H2,1-2H3/p+1