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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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