1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide

Systemtic Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide Openeye Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide CAS Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide IUPAC Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide Traditional Name: 1-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzotriazole iodide Formula: C13H18IN5 MolecularWeight: 371.21999

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CN3C4=CC=CC=C4N=N3.[I-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CN3C4=CC=CC=C4N=N3.[I-]

InChI

InChI=1S/C13H18N5.HI/c1-2-4-13-12(3-1)14-15-17(13)11-18-8-5-16(6-9-18)7-10-18;/h1-4H,5-11H2;1H/q+1;/p-1