[9-(hydroxymethyl)purin-6-yl]-dimethyl-(3-propoxycarbonyloxypropoxy)azanium

Systemtic Name: [9-(hydroxymethyl)purin-6-yl]-dimethyl-(3-propoxycarbonyloxypropoxy)azanium Openeye Name: [9-(hydroxymethyl)purin-6-yl]-dimethyl-(3-propoxycarbonyloxypropoxy)ammonium CAS Name: [9-(hydroxymethyl)-6-purinyl]-dimethyl-[3-[oxo(propoxy)methoxy]propoxy]ammonium IUPAC Name: [9-(hydroxymethyl)purin-6-yl]-dimethyl-(3-propoxycarbonyloxypropoxy)azanium Traditional Name: dimethyl-(9-methylolpurin-6-yl)-(3-propoxycarbonyloxypropoxy)ammonium Formula: C15H24N5O5+ MolecularWeight: 354.38156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OCCCO[N+](C)(C)C1=NC=NC2=C1N=CN2CO

Isomeric SMILES

CCCOC(=O)OCCCO[N+](C)(C)C1=NC=NC2=C1N=CN2CO

InChI

InChI=1S/C15H24N5O5/c1-4-6-23-15(22)24-7-5-8-25-20(2,3)14-12-13(16-9-17-14)19(11-21)10-18-12/h9-10,21H,4-8,11H2,1-3H3/q+1