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

Systemtic Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methoxy-9-methyl-purin-9-ium-6-amine chloride Openeye Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methoxy-9-methyl-purin-9-ium-6-amine chloride CAS Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methoxy-9-methyl-6-purin-9-iumamine chloride IUPAC Name: 7-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methoxy-9-methylpurin-9-ium-6-amine chloride Traditional Name: [7-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-methyl-purin-9-ium-6-yl]-methoxy-amine chloride Formula: C17H26ClN5O MolecularWeight: 351.87424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N5O.ClH/c1-13(2)7-6-8-14(3)9-10-22-12-21(4)17-15(22)16(20-23-5)18-11-19-17;/h7,9,11-12H,6,8,10H2,1-5H3,(H,18,19,20);1H/q+1;/p-1/b14-9+;