trimethyl-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecakis(fluoranyl)heptylsulfonylamino]propyl]azanium sulfate

Systemtic Name: trimethyl-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecakis(fluoranyl)heptylsulfonylamino]propyl]azanium sulfate Openeye Name: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]ammonium sulfate CAS Name: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]ammonium sulfate IUPAC Name: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium sulfate Traditional Name: trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]ammonium sulfate Formula: C26H32F30N4O8S3 MolecularWeight: 1194.701376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C13H16F15N2O2S.H2O4S/c2*1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;1-5(2,3)4/h2*29H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2