1-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-oxidanylidenepropyl)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-oxidanylidenepropyl)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(7-acetonyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)-8-purinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[1,3-dimethyl-2,6-dioxo-7-(2-oxopropyl)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(7-acetonyl-2,6-diketo-1,3-dimethyl-purin-8-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C17H25N6O4+ MolecularWeight: 377.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H24N6O4/c1-10(24)8-23-12(9-22-6-4-11(5-7-22)14(18)25)19-15-13(23)16(26)21(3)17(27)20(15)2/h11H,4-9H2,1-3H3,(H2,18,25)/p+1