9-(2-oxidanylnonan-3-yl)-3H-purin-9-ium-6-one

Systemtic Name: 9-(2-oxidanylnonan-3-yl)-3H-purin-9-ium-6-one Openeye Name: 9-[1-(1-hydroxyethyl)heptyl]-3H-purin-9-ium-6-one CAS Name: 9-(2-hydroxynonan-3-yl)-3H-purin-9-ium-6-one IUPAC Name: 9-(2-hydroxynonan-3-yl)-3H-purin-9-ium-6-one Traditional Name: 9-[1-(1-hydroxyethyl)heptyl]-3H-purin-9-ium-6-one Formula: C14H21N4O2+ MolecularWeight: 277.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)[N+]1=C=NC2=C1NC=NC2=O

Isomeric SMILES

CCCCCCC(C(C)O)[N+]1=C=NC2=C1NC=NC2=O

InChI

InChI=1S/C14H20N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8,10-11,19H,3-7H2,1-2H3/p+1