7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride

Systemtic Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride Openeye Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-purin-9-ium-6-amine chloride CAS Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-6-purin-9-iumamine chloride IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methylpurin-9-ium-6-amine chloride Traditional Name: [7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-purin-9-ium-6-yl]amine chloride Formula: C16H24ClN5 MolecularWeight: 321.84826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1C=[N+](C2=C1C(=NC=N2)N)C)C)C.[Cl-]

Isomeric SMILES

CC(=CCC/C(=C/CN1C=[N+](C2=C1C(=NC=N2)N)C)/C)C.[Cl-]

InChI

InChI=1S/C16H24N5.ClH/c1-12(2)6-5-7-13(3)8-9-21-11-20(4)16-14(21)15(17)18-10-19-16;/h6,8,10-11H,5,7,9H2,1-4H3,(H2,17,18,19);1H/q+1;/p-1/b13-8+;