1-methyl-7,9-bis(prop-2-enyl)-3H-purin-9-ium-2,6-dione chloride

Systemtic Name: 1-methyl-7,9-bis(prop-2-enyl)-3H-purin-9-ium-2,6-dione chloride Openeye Name: 7,9-diallyl-1-methyl-3H-purin-9-ium-2,6-dione chloride CAS Name: 1-methyl-7,9-bis(prop-2-enyl)-3H-purin-9-ium-2,6-dione chloride IUPAC Name: 1-methyl-7,9-bis(prop-2-enyl)-3H-purin-9-ium-2,6-dione chloride Traditional Name: 7,9-diallyl-1-methyl-3H-purin-9-ium-2,6-quinone chloride Formula: C12H15ClN4O2 MolecularWeight: 282.7261

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)[N+](=CN2CC=C)CC=C.[Cl-]

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)[N+](=CN2CC=C)CC=C.[Cl-]

InChI

InChI=1S/C12H14N4O2.ClH/c1-4-6-15-8-16(7-5-2)10-9(15)11(17)14(3)12(18)13-10;/h4-5,8H,1-2,6-7H2,3H3;1H