1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2Br

InChI

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