1-phenylicosan-3-yl(propyl)azanium triiodide

Systemtic Name: 1-phenylicosan-3-yl(propyl)azanium triiodide Openeye Name: 1-phenethyloctadecyl(propyl)ammonium triiodide CAS Name: 1-phenyleicosan-3-yl(propyl)ammonium triiodide IUPAC Name: 1-phenylicosan-3-yl(propyl)azanium triiodide Traditional Name: 1-phenethyloctadecyl(propyl)ammonium triiodide Formula: C29H54I3N MolecularWeight: 797.45917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC1=CC=CC=C1)[NH2+]CCC.I[I-]I

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC1=CC=CC=C1)[NH2+]CCC.I[I-]I

InChI

InChI=1S/C29H53N.I3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29(30-27-4-2)26-25-28-22-19-18-20-23-28;1-3-2/h18-20,22-23,29-30H,3-17,21,24-27H2,1-2H3;/q;-1/p+1