1-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C13H19BrN2O+2 MolecularWeight: 299.20676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN2O/c1-15-6-8-16(9-7-15)10-13(17)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3/p+2