8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H24N5O2+ MolecularWeight: 306.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C15H23N5O2/c1-9-5-10(2)7-20(6-9)8-11-16-12-13(17-11)18(3)15(22)19(4)14(12)21/h9-10H,5-8H2,1-4H3,(H,16,17)/p+1/t9-,10-/m0/s1