1-[(2-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-(2,4-dimethoxybenzyl)piperazine-1,4-diium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br)OC

InChI

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