1,3-dimethyl-7-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-1,3-dimethyl-xanthine Formula: C15H24N5O3+ MolecularWeight: 322.38276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C[NH+]3CCCCC3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C15H23N5O3/c1-17-13-12(14(22)18(2)15(17)23)20(10-16-13)9-11(21)8-19-6-4-3-5-7-19/h10-11,21H,3-9H2,1-2H3/p+1/t11-/m0/s1