1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propyl-xanthine Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCC[C@H]3C

InChI

InChI=1S/C17H27N5O2/c1-5-9-22-13(11-21-10-7-6-8-12(21)2)18-15-14(22)16(23)20(4)17(24)19(15)3/h12H,5-11H2,1-4H3/p+1/t12-/m1/s1