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

Systemtic Name: 1-[[7-(2-methoxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[7-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[7-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[7-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2,6-diketo-7-(2-methoxyethyl)-1,3-dimethyl-purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C17H27N6O4+ MolecularWeight: 379.43408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)C(=O)N)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCC(CC3)C(=O)N)CCOC

InChI

InChI=1S/C17H26N6O4/c1-20-15-13(16(25)21(2)17(20)26)23(8-9-27-3)12(19-15)10-22-6-4-11(5-7-22)14(18)24/h11H,4-10H2,1-3H3,(H2,18,24)/p+1