hexadecyl(trimethyl)azanium; iron(6+); hexacyanide

Systemtic Name: hexadecyl(trimethyl)azanium; iron(6+); hexacyanide Openeye Name: hexadecyl(trimethyl)ammonium; iron(6+); hexacyanide CAS Name: hexadecyl(trimethyl)ammonium; iron(6+); hexacyanide IUPAC Name: hexadecyl(trimethyl)azanium; iron(6+); hexacyanide Traditional Name: cetyl(trimethyl)ammonium; iron(6+); hexacyanide Formula: C44H84FeN8+2 MolecularWeight: 781.03636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]

InChI

InChI=1S/2C19H42N.6CN.Fe/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;6*1-2;/h2*5-19H2,1-4H3;;;;;;;/q2*+1;6*-1;+6