3,7-dimethyl-7-(8-oxidanylnonyl)purin-7-ium-2,6-dione

Systemtic Name: 3,7-dimethyl-7-(8-oxidanylnonyl)purin-7-ium-2,6-dione Openeye Name: 7-(8-hydroxynonyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(8-hydroxynonyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(8-hydroxynonyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-(8-hydroxynonyl)-3,7-dimethyl-purin-7-ium-2,6-quinone Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C)O

Isomeric SMILES

CC(CCCCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C)O

InChI

InChI=1S/C16H26N4O3/c1-12(21)9-7-5-4-6-8-10-20(3)11-17-14-13(20)15(22)18-16(23)19(14)2/h11-12,21H,4-10H2,1-3H3/p+1