2-(4-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium

Systemtic Name: 2-(4-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-dioctyl-azanium Openeye Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium CAS Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctylammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctylazanium Traditional Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dioctyl-ammonium Formula: C27H44ClIN+ MolecularWeight: 545.00243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCC1=CC=C(C=C1)Cl)C(C#C)I

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCC1=CC=C(C=C1)Cl)C(C#C)I

InChI

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