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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H21N5O2/c1-10-6-4-5-7-18(10)9-19-8-15-12-11(19)13(20)17(3)14(21)16(12)2/h8,10H,4-7,9H2,1-3H3/p+1/t10-/m1/s1