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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H29N5O3/c1-5-13-8-6-7-9-22(13)12-14-19-16-15(23(14)10-11-26-4)17(24)21(3)18(25)20(16)2/h13H,5-12H2,1-4H3/p+1/t13-/m0/s1