1-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanone bromide

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanone bromide Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanone bromide CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-phenylethanone bromide IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-phenylethanone bromide Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanone bromide Formula: C13H19BrN2O MolecularWeight: 299.20676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H18N2O.BrH/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H