dodecyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium

Systemtic Name: dodecyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium Openeye Name: dodecyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium CAS Name: dodecyl-(1-iodoprop-2-ynyl)-dioctylammonium IUPAC Name: dodecyl-(1-iodoprop-2-ynyl)-dioctylazanium Traditional Name: 1-iodoprop-2-ynyl-lauryl-dioctyl-ammonium Formula: C31H61IN+ MolecularWeight: 574.72721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C(C#C)I

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C(C#C)I

InChI

InChI=1S/C31H61IN/c1-5-9-12-15-18-19-20-21-24-27-30-33(31(32)8-4,28-25-22-16-13-10-6-2)29-26-23-17-14-11-7-3/h4,31H,5-7,9-30H2,1-3H3/q+1