trimethyl-[2-oxidanyl-4-oxidanylidene-4-[2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethylamino]butyl]azanium

Systemtic Name: trimethyl-[2-oxidanyl-4-oxidanylidene-4-[2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethylamino]butyl]azanium Openeye Name: [2-hydroxy-4-oxo-4-[2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]ethylamino]butyl]-trimethyl-ammonium CAS Name: [2-hydroxy-4-oxo-4-[2-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]ethylamino]butyl]-trimethylammonium IUPAC Name: [2-hydroxy-4-oxo-4-[2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]ethylamino]butyl]-trimethylazanium Traditional Name: [2-hydroxy-4-keto-4-[2-[3-(6-keto-3H-purin-9-yl)propanoylamino]ethylamino]butyl]-trimethyl-ammonium Formula: C17H28N7O4+ MolecularWeight: 394.44872

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)NCCNC(=O)CCN1C=NC2=C1NC=NC2=O)O

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)NCCNC(=O)CCN1C=NC2=C1NC=NC2=O)O

InChI

InChI=1S/C17H27N7O4/c1-24(2,3)9-12(25)8-14(27)19-6-5-18-13(26)4-7-23-11-22-15-16(23)20-10-21-17(15)28/h10-12,25H,4-9H2,1-3H3,(H2-,18,19,20,21,26,27,28)/p+1