[3,4-bis(azanyl)-5-methanoyl-4-oxidanyl-6-oxidanylidene-5-(6-oxidanylidene-3H-purin-9-yl)octan-3-yl]-trimethyl-azanium chloride

Systemtic Name: [3,4-bis(azanyl)-5-methanoyl-4-oxidanyl-6-oxidanylidene-5-(6-oxidanylidene-3H-purin-9-yl)octan-3-yl]-trimethyl-azanium chloride Openeye Name: [1,2-diamino-1-ethyl-3-formyl-2-hydroxy-4-oxo-3-(6-oxo-3H-purin-9-yl)hexyl]-trimethyl-ammonium chloride CAS Name: [3,4-diamino-5-formyl-4-hydroxy-6-oxo-5-(6-oxo-3H-purin-9-yl)octan-3-yl]-trimethylammonium chloride IUPAC Name: [3,4-diamino-5-formyl-4-hydroxy-6-oxo-5-(6-oxo-3H-purin-9-yl)octan-3-yl]-trimethylazanium chloride Traditional Name: [1,2-diamino-1-ethyl-3-formyl-2-hydroxy-4-keto-3-(6-keto-3H-purin-9-yl)hexyl]-trimethyl-ammonium chloride Formula: C17H28ClN7O4 MolecularWeight: 429.90172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C=O)(C(C(CC)(N)[N+](C)(C)C)(N)O)N1C=NC2=C1NC=NC2=O.[Cl-]

Isomeric SMILES

CCC(=O)C(C=O)(C(C(CC)(N)[N+](C)(C)C)(N)O)N1C=NC2=C1NC=NC2=O.[Cl-]

InChI

InChI=1S/C17H27N7O4.ClH/c1-6-11(26)15(8-25,17(19,28)16(18,7-2)24(3,4)5)23-10-22-12-13(23)20-9-21-14(12)27;/h8-10,28H,6-7,18-19H2,1-5H3;1H