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

Systemtic Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]purine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]purine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]xanthine Formula: C18H30N5O3+ MolecularWeight: 364.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C18H29N5O3/c1-5-26-10-9-23-14(12-22-8-6-7-13(2)11-22)19-16-15(23)17(24)21(4)18(25)20(16)3/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1