4,7-dimethyl-6-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]purin[7,8-a]imidazole-1,3-quinone Formula: C17H25N6O2+ MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCN2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCN2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C

InChI

InChI=1S/C17H24N6O2/c1-11-4-6-21(7-5-11)8-9-22-12(2)10-23-13-14(18-16(22)23)20(3)17(25)19-15(13)24/h10-11H,4-9H2,1-3H3,(H,19,24,25)/p+1