1-[(4-bromophenyl)methyl]-1,4-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium diiodide

Systemtic Name: 1-[(4-bromophenyl)methyl]-1,4-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium diiodide Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(E)-cinnamyl]-1,4-dimethyl-piperazine-1,4-diium diiodide CAS Name: 1-[(4-bromophenyl)methyl]-1,4-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium diiodide IUPAC Name: 1-[(4-bromophenyl)methyl]-1,4-dimethyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium diiodide Traditional Name: 1-(4-bromobenzyl)-4-[(E)-cinnamyl]-1,4-dimethyl-piperazine-1,4-diium diiodide Formula: C44H58Br2I2N4+2 MolecularWeight: 1056.57506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CC2=CC=C(C=C2)Br)CC=CC3=CC=CC=C3.C[N+]1(CC[N+](CC1)(C)CC2=CC=C(C=C2)Br)CC=CC3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

C[N+]1(CC[N+](CC1)(CC2=CC=C(C=C2)Br)C)C/C=C/C3=CC=CC=C3.C[N+]1(CC[N+](CC1)(CC2=CC=C(C=C2)Br)C)C/C=C/C3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/2C22H29BrN2.2HI/c2*1-24(14-6-9-20-7-4-3-5-8-20)15-17-25(2,18-16-24)19-21-10-12-22(23)13-11-21;;/h2*3-13H,14-19H2,1-2H3;2*1H/q2*+2;;/p-2/b2*9-6+;;