4-[[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(2-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(2-bromobenzyl)piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H27BrN2O3+2 MolecularWeight: 423.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br

InChI

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