2-(4-chlorophenyl)ethyl-didecyl-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C31H52Cl2IN MolecularWeight: 636.56175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52ClIN.ClH/c1-4-7-9-11-13-15-17-19-26-34(31(33)6-3,27-20-18-16-14-12-10-8-5-2)28-25-29-21-23-30(32)24-22-29;/h3,21-24,31H,4-5,7-20,25-28H2,1-2H3;1H/q+1;/p-1