2-(4-azaniumylbutanoylamino)ethylazanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-(4-azaniumylbutanoylamino)ethylazanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-(4-azaniumylbutanoylamino)ethylammonium; 2,2,2-trifluoroacetate CAS Name: [4-(2-ammonioethylamino)-4-oxobutyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: 2-(4-azaniumylbutanoylamino)ethylazanium; 2,2,2-trifluoroacetate Traditional Name: 2-(4-ammoniobutanoylamino)ethylammonium; 2,2,2-trifluoroacetate Formula: C10H17F6N3O5 MolecularWeight: 373.249499

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NCC[NH3+])C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C(CC(=O)NCC[NH3+])C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H15N3O.2C2HF3O2/c7-3-1-2-6(10)9-5-4-8;2*3-2(4,5)1(6)7/h1-5,7-8H2,(H,9,10);2*(H,6,7)