7-(ethoxymethyl)-3,3-dimethyl-1-(5-methyl-5-oxidanyl-hexyl)purin-3-ium-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3,3-dimethyl-1-(5-methyl-5-oxidanyl-hexyl)purin-3-ium-2,6-dione Openeye Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3,3-dimethyl-purin-3-ium-2,6-quinone Formula: C17H29N4O4+ MolecularWeight: 353.43656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)[N+]2(C)C)CCCCC(C)(C)O

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)[N+]2(C)C)CCCCC(C)(C)O

InChI

InChI=1S/C17H29N4O4/c1-6-25-12-19-11-18-14-13(19)15(22)20(16(23)21(14,4)5)10-8-7-9-17(2,3)24/h11,24H,6-10,12H2,1-5H3/q+1