2-[2-azanyl-3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-oxidanylidene-4H-imidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-azanyl-3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-oxidanylidene-4H-imidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-amino-3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate IUPAC Name: 2-[2-amino-3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[4,6-bis(dimethylamino)-s-triazin-2-yl]-5-keto-2-imidazolin-1-ium-1-yl]acetate Formula: C12H18N8O3 MolecularWeight: 322.32312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N2CC(=O)[N+](=C2N)CC(=O)[O-])N(C)C

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N2CC(=O)[N+](=C2N)CC(=O)[O-])N(C)C

InChI

InChI=1S/C12H18N8O3/c1-17(2)10-14-11(18(3)4)16-12(15-10)20-5-7(21)19(9(20)13)6-8(22)23/h13H,5-6H2,1-4H3,(H,22,23)