[9-(butanoyloxymethyl)purin-2-yl]-dimethyl-oxidanyl-azanium; oxetane

Systemtic Name: [9-(butanoyloxymethyl)purin-2-yl]-dimethyl-oxidanyl-azanium; oxetane Openeye Name: [9-(butanoyloxymethyl)purin-2-yl]-hydroxy-dimethyl-ammonium; oxetane CAS Name: hydroxy-dimethyl-[9-(1-oxobutoxymethyl)-2-purinyl]ammonium; oxetane IUPAC Name: [9-(butanoyloxymethyl)purin-2-yl]-hydroxy-dimethylazanium; oxetane Traditional Name: [9-(butyryloxymethyl)purin-2-yl]-hydroxy-dimethyl-ammonium; oxetane Formula: C15H24N5O4+ MolecularWeight: 338.38216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1C=NC2=CN=C(N=C21)[N+](C)(C)O.C1COC1

Isomeric SMILES

CCCC(=O)OCN1C=NC2=CN=C(N=C21)[N+](C)(C)O.C1COC1

InChI

InChI=1S/C12H18N5O3.C3H6O/c1-4-5-10(18)20-8-16-7-14-9-6-13-12(15-11(9)16)17(2,3)19;1-2-4-3-1/h6-7,19H,4-5,8H2,1-3H3;1-3H2/q+1;