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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC)OC)OC

InChI

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