1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C23H32BrN2O5+ MolecularWeight: 496.41458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H31BrN2O5/c1-27-19-12-17(18(24)13-20(19)28-2)15-26-8-6-25(7-9-26)14-16-10-21(29-3)23(31-5)22(11-16)30-4/h10-13H,6-9,14-15H2,1-5H3/p+1