2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(4-bromophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN2O/c14-12-4-2-11(3-5-12)10-13(17)16-8-1-6-15-7-9-16/h2-5,15H,1,6-10H2/p+1