2-(4-bromanylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(4-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(4-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(4-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(4-bromophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H19BrN2O2/c1-16-7-2-8-17(10-9-16)14(18)11-19-13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3/p+1