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

Systemtic Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodanylprop-2-ynyl)azanium Openeye Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium CAS Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)azanium Traditional Name: 2-(4-chlorophenyl)ethyl-didecyl-(1-iodoprop-2-ynyl)ammonium Formula: C31H52ClIN+ MolecularWeight: 601.10875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52ClIN/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/q+1