3-azaniumylpropyl-bis(2-azanylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azaniumylpropyl-bis(2-azanylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: bis(2-aminoethyl)-(3-azaniumylpropyl)-tert-butoxycarbonyl-ammonium; 2,2,2-trifluoroacetate CAS Name: bis(2-aminoethyl)-(3-ammoniopropyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: bis(2-aminoethyl)-(3-azaniumylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]azanium; 2,2,2-trifluoroacetate Traditional Name: bis(2-aminoethyl)-(3-ammoniopropyl)-tert-butoxycarbonyl-ammonium; 2,2,2-trifluoroacetate Formula: C16H30F6N4O6 MolecularWeight: 488.423019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](CCC[NH3+])(CCN)CCN.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+](CCC[NH3+])(CCN)CCN.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H29N4O2.2C2HF3O2/c1-12(2,3)18-11(17)16(9-6-14,10-7-15)8-4-5-13;2*3-2(4,5)1(6)7/h4-10,13-15H2,1-3H3;2*(H,6,7)/q+1;;/p-1