2-(2-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium chloride

Systemtic Name: 2-(2-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium chloride Openeye Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride CAS Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctylammonium chloride IUPAC Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctylazanium chloride Traditional Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium chloride Formula: C27H44Cl2IN MolecularWeight: 580.45543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I.[Cl-]

InChI

InChI=1S/C27H44ClIN.ClH/c1-4-7-9-11-13-17-22-30(27(29)6-3,23-18-14-12-10-8-5-2)24-21-25-19-15-16-20-26(25)28;/h3,15-16,19-20,27H,4-5,7-14,17-18,21-24H2,1-2H3;1H/q+1;/p-1