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

Systemtic Name: 1-methyl-7,9-bis(phenylmethyl)-3H-purin-9-ium-2,6-dione chloride Openeye Name: 7,9-dibenzyl-1-methyl-3H-purin-9-ium-2,6-dione chloride CAS Name: 1-methyl-7,9-bis(phenylmethyl)-3H-purin-9-ium-2,6-dione chloride IUPAC Name: 7,9-dibenzyl-1-methyl-3H-purin-9-ium-2,6-dione chloride Traditional Name: 7,9-dibenzyl-1-methyl-3H-purin-9-ium-2,6-quinone chloride Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)[N+](=CN2CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)[N+](=CN2CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H18N4O2.ClH/c1-22-19(25)17-18(21-20(22)26)24(13-16-10-6-3-7-11-16)14-23(17)12-15-8-4-2-5-9-15;/h2-11,14H,12-13H2,1H3;1H