6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-amine chloride

Systemtic Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-amine chloride Openeye Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-amine chloride CAS Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-amine chloride IUPAC Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-amine chloride Traditional Name: [6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-7H-purin-7-ium-2-yl]amine chloride Formula: C11H17ClN7+ MolecularWeight: 282.75258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)C3=NC(=NC4=C3[NH2+]C=N4)N.[Cl-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)C3=NC(=NC4=C3[NH2+]C=N4)N.[Cl-]

InChI

InChI=1S/C11H16N7.ClH/c12-11-15-9-8(13-7-14-9)10(16-11)18-4-1-17(2-5-18)3-6-18;/h7H,1-6H2,(H3,12,13,14,15,16);1H/q+1;