[N'-[(1S,2R,4S,5R)-5-[[azaniumyl(azanyl)methylidene]amino]-2,3,4-tris(oxidanyl)cyclohexyl]carbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [N'-[(1S,2R,4S,5R)-5-[[azaniumyl(azanyl)methylidene]amino]-2,3,4-tris(oxidanyl)cyclohexyl]carbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [N'-[(1S,2R,4S,5R)-5-[[amino(azaniumyl)methylene]amino]-2,3,4-trihydroxy-cyclohexyl]carbamimidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[(1S,2R,4S,5R)-5-[[amino(ammonio)methylidene]amino]-2,3,4-trihydroxycyclohexyl]iminomethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [N'-[(1S,2R,4S,5R)-5-[[amino(azaniumyl)methylidene]amino]-2,3,4-trihydroxycyclohexyl]carbamimidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [N'-[(1S,2R,4S,5R)-5-[[amino(ammonio)methylene]amino]-2,3,4-trihydroxy-cyclohexyl]amidino]ammonium; 2,2,2-trifluoroacetate Formula: C12H20F6N6O7 MolecularWeight: 474.313619

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N=C([NH3+])N)O)O)O)N=C([NH3+])N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1[C@H]([C@@H](C([C@@H]([C@H]1N=C([NH3+])N)O)O)O)N=C([NH3+])N.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H18N6O3.2C2HF3O2/c9-7(10)13-2-1-3(14-8(11)12)5(16)6(17)4(2)15;2*3-2(4,5)1(6)7/h2-6,15-17H,1H2,(H4,9,10,13)(H4,11,12,14);2*(H,6,7)/t2-,3+,4+,5-,6?;;