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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium Formula: C22H31BrN2O4+2 MolecularWeight: 467.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O4/c1-26-19-7-5-16(13-18(19)23)14-24-9-11-25(12-10-24)15-17-6-8-20(27-2)22(29-4)21(17)28-3/h5-8,13H,9-12,14-15H2,1-4H3/p+2