dodecyl-diheptyl-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: dodecyl-diheptyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: dodecyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: dodecyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: dodecyl-diheptyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: diheptyl-(1-iodoprop-2-ynyl)-lauryl-ammonium chloride Formula: C29H57ClIN MolecularWeight: 582.12705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCC)(CCCCCCC)C(C#C)I.[Cl-]

InChI

InChI=1S/C29H57IN.ClH/c1-5-9-12-15-16-17-18-19-22-25-28-31(29(30)8-4,26-23-20-13-10-6-2)27-24-21-14-11-7-3;/h4,29H,5-7,9-28H2,1-3H3;1H/q+1;/p-1