molecular bromine; 4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; bromide

Systemtic Name: molecular bromine; 4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; bromide Openeye Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; molecular bromine; bromide CAS Name: molecular bromine; 4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; bromide IUPAC Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; molecular bromine; bromide Traditional Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; molecular bromine; bromide Formula: C13H19Br3N2 MolecularWeight: 443.01536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.[Br-].BrBr

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.[Br-].BrBr

InChI

InChI=1S/C13H19N2.Br2.BrH/c1-2-4-13(5-3-1)12-15-9-6-14(7-10-15)8-11-15;1-2;/h1-5H,6-12H2;;1H/q+1;;/p-1