[azanyl-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)amino]methylidene]-methyl-azanium ethanoate

Systemtic Name: [azanyl-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl)amino]methylidene]-methyl-azanium ethanoate Openeye Name: [amino-[(4-amino-5-hydroxy-5-oxo-pentyl)amino]methylene]-methyl-ammonium acetate CAS Name: [amino-[(4-amino-5-hydroxy-5-oxopentyl)amino]methylidene]-methylammonium acetate IUPAC Name: [amino-[(4-amino-5-hydroxy-5-oxopentyl)amino]methylidene]-methylazanium acetate Traditional Name: [amino-[(4-amino-5-hydroxy-5-keto-pentyl)amino]methylene]-methyl-ammonium acetate Formula: C9H20N4O4 MolecularWeight: 248.2795

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C[NH+]=C(N)NCCCC(C(=O)O)N

Isomeric SMILES

CC(=O)[O-].C[NH+]=C(N)NCCCC(C(=O)O)N

InChI

InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)