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: C63H126FeN9+3 MolecularWeight: 1065.57984

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/3C19H42N.6CN.Fe/c3*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;6*1-2;/h3*5-19H2,1-4H3;;;;;;;/q3*+1;6*-1;+6