7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C15H24N5O2+ MolecularWeight: 306.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C15H23N5O2/c1-10-5-11(2)7-19(6-10)9-20-8-16-13-12(20)14(21)18(4)15(22)17(13)3/h8,10-11H,5-7,9H2,1-4H3/p+1/t10-,11-/m0/s1