6-(2-hydroxyethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-hydroxyethyl)-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C18H27N6O3+ MolecularWeight: 375.44538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCO)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C18H26N6O3/c1-13-12-24-14-15(19-17(24)22(13)10-11-25)20(2)18(27)23(16(14)26)9-8-21-6-4-3-5-7-21/h12,25H,3-11H2,1-2H3/p+1