butyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium chloride

Systemtic Name: butyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium chloride Openeye Name: butyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride CAS Name: butyl-(1-iodoprop-2-ynyl)-dioctylammonium chloride IUPAC Name: butyl-(1-iodoprop-2-ynyl)-dioctylazanium chloride Traditional Name: butyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride Formula: C23H45ClIN MolecularWeight: 497.96757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCC)(CCCCCCCC)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](CCCC)(CCCCCCCC)C(C#C)I.[Cl-]

InChI

InChI=1S/C23H45IN.ClH/c1-5-9-12-14-16-18-21-25(20-11-7-3,23(24)8-4)22-19-17-15-13-10-6-2;/h4,23H,5-7,9-22H2,1-3H3;1H/q+1;/p-1