1-iodanylprop-2-ynyl-di(nonyl)-phenethyl-azanium chloride

Systemtic Name: 1-iodanylprop-2-ynyl-di(nonyl)-phenethyl-azanium chloride Openeye Name: 1-iodoprop-2-ynyl-di(nonyl)-phenethyl-ammonium chloride CAS Name: 1-iodoprop-2-ynyl-di(nonyl)-phenethylammonium chloride IUPAC Name: 1-iodoprop-2-ynyl-di(nonyl)-phenethylazanium chloride Traditional Name: 1-iodoprop-2-ynyl-di(nonyl)-phenethyl-ammonium chloride Formula: C29H49ClIN MolecularWeight: 574.06353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](CCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCCC[N+](CCCCCCCCC)(CCC1=CC=CC=C1)C(C#C)I.[Cl-]

InChI

InChI=1S/C29H49IN.ClH/c1-4-7-9-11-13-15-20-25-31(29(30)6-3,26-21-16-14-12-10-8-5-2)27-24-28-22-18-17-19-23-28;/h3,17-19,22-23,29H,4-5,7-16,20-21,24-27H2,1-2H3;1H/q+1;/p-1