6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloranyl-7H-purine

Systemtic Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloranyl-7H-purine Openeye Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloro-7H-purine CAS Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloro-7H-purine IUPAC Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloro-7H-purine Traditional Name: 6-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-chloro-7H-purine Formula: C11H14ClN6+ MolecularWeight: 265.72206

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1C[N+]2(CCN1CC2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C11H14ClN6/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,(H,13,14,15,16)/q+1