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

Systemtic Name: 8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-xanthine Formula: C21H36N5O2+ MolecularWeight: 390.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3CC

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCC[C@H]3CC

InChI

InChI=1S/C21H35N5O2/c1-5-7-8-10-14-26-17(15-25-13-11-9-12-16(25)6-2)22-19-18(26)20(27)24(4)21(28)23(19)3/h16H,5-15H2,1-4H3/p+1/t16-/m1/s1