3-azaniumylpropyl-bis(2-azanylethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azaniumylpropyl-bis(2-azanylethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: bis(2-aminoethyl)-(3-azaniumylpropyl)ammonium; 2,2,2-trifluoroacetate CAS Name: bis(2-aminoethyl)-(3-ammoniopropyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: bis(2-aminoethyl)-(3-azaniumylpropyl)azanium; 2,2,2-trifluoroacetate Traditional Name: bis(2-aminoethyl)-(3-ammoniopropyl)ammonium; 2,2,2-trifluoroacetate Formula: C11H22F6N4O4 MolecularWeight: 388.307199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C[NH3+])C[NH+](CCN)CCN.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C(C[NH3+])C[NH+](CCN)CCN.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H20N4.2C2HF3O2/c8-2-1-5-11(6-3-9)7-4-10;2*3-2(4,5)1(6)7/h1-10H2;2*(H,6,7)