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

Systemtic Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7H-purine-2,6-quinone Formula: C14H22N5O2+ MolecularWeight: 292.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H21N5O2/c1-9-6-4-5-7-19(9)8-10-15-11-12(16-10)17(2)14(21)18(3)13(11)20/h9H,4-8H2,1-3H3,(H,15,16)/p+1/t9-/m1/s1