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

Systemtic Name: 1-[[7-(2-ethoxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[7-(2-ethoxyethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[7-(2-ethoxyethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[7-(2-ethoxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[7-(2-ethoxyethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C18H29N6O4+ MolecularWeight: 393.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H28N6O4/c1-4-28-10-9-24-13(11-23-7-5-12(6-8-23)15(19)25)20-16-14(24)17(26)22(3)18(27)21(16)2/h12H,4-11H2,1-3H3,(H2,19,25)/p+1