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

Systemtic Name: 7-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O2/c1-5-12-9-7-8-10-21(12)11-13-18-15-14(22(13)6-2)16(23)20(4)17(24)19(15)3/h12H,5-11H2,1-4H3/p+1/t12-/m0/s1