1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-bromobenzyl)-4-(3,5-dimethoxybenzyl)piperazine-1,4-diium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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