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

Systemtic Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-pentyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-pentyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-7-pentylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]xanthine Formula: C19H32N5O2+ MolecularWeight: 362.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCCC3C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCC[C@H]3C

InChI

InChI=1S/C19H31N5O2/c1-5-6-8-12-24-15(13-23-11-9-7-10-14(23)2)20-17-16(24)18(25)22(4)19(26)21(17)3/h14H,5-13H2,1-4H3/p+1/t14-/m1/s1