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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(3-phenoxybenzyl)piperazine-1,4-diium Formula: C24H27BrN2O+2 MolecularWeight: 439.38798

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H25BrN2O/c25-22-8-4-6-20(16-22)18-26-12-14-27(15-13-26)19-21-7-5-11-24(17-21)28-23-9-2-1-3-10-23/h1-11,16-17H,12-15,18-19H2/p+2