1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-(3-oxidanylidenebutan-2-yl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-(3-oxidanylidenebutan-2-yl)-9H-purin-7-ium-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-methyl-2-oxo-propyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-7-(3-oxobutan-2-yl)-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-(3-oxobutan-2-yl)-9H-purin-7-ium-2,6-dione Traditional Name: 7-(2-keto-1-methyl-propyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-9H-purin-7-ium-2,6-quinone Formula: C18H29N5O3+2 MolecularWeight: 363.45456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=[N+](C3=C(N2)N(C(=O)N(C3=O)C)C)C(C)C(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=[N+](C3=C(N2)N(C(=O)N(C3=O)C)C)C(C)C(=O)C

InChI

InChI=1S/C18H27N5O3/c1-11-6-8-22(9-7-11)10-14-19-16-15(23(14)12(2)13(3)24)17(25)21(5)18(26)20(16)4/h11-12H,6-10H2,1-5H3/p+2