1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-oxidanidyl-5-propyl-pyrazin-4-ium-2-one

Systemtic Name: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-oxidanidyl-5-propyl-pyrazin-4-ium-2-one Openeye Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxido-5-propyl-pyrazin-4-ium-2-one CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-oxido-5-propyl-2-pyrazin-4-iumone IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxido-5-propylpyrazin-4-ium-2-one Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-4-oxido-5-propyl-pyrazin-4-ium-2-one Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)C=[N+]1[O-])C2CC(C(O2)CO)O

Isomeric SMILES

CCCC1=CN(C(=O)C=[N+]1[O-])C2CC(C(O2)CO)O

InChI

InChI=1S/C12H18N2O5/c1-2-3-8-5-13(11(17)6-14(8)18)12-4-9(16)10(7-15)19-12/h5-6,9-10,12,15-16H,2-4,7H2,1H3