1-[(3-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(2,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C21H29BrN2O3+2 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)Br)OC)OC

InChI

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