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

Systemtic Name: 1-iodanylprop-2-ynyl-dioctyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride CAS Name: 1-iodoprop-2-ynyl-dioctyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-iodoprop-2-ynyl)-dioctylazanium chloride Traditional Name: benzyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride Formula: C26H43ClIN MolecularWeight: 531.98379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CC1=CC=CC=C1)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CC1=CC=CC=C1)C(C#C)I.[Cl-]

InChI

InChI=1S/C26H43IN.ClH/c1-4-7-9-11-13-18-22-28(26(27)6-3,23-19-14-12-10-8-5-2)24-25-20-16-15-17-21-25;/h3,15-17,20-21,26H,4-5,7-14,18-19,22-24H2,1-2H3;1H/q+1;/p-1