1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2,5-dimethoxybenzyl)piperazine-1,4-diium Formula: C21H29BrN2O3+2 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H27BrN2O3/c1-25-18-5-7-20(26-2)17(13-18)15-24-10-8-23(9-11-24)14-16-4-6-21(27-3)19(22)12-16/h4-7,12-13H,8-11,14-15H2,1-3H3/p+2