1-(4-bromophenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-bromophenyl)ethanone Formula: C19H23BrN2O+2 MolecularWeight: 375.30272

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+2