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

Systemtic Name: 2-(4-chlorophenyl)ethyl-dihexyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: 2-(4-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C23H36Cl2IN MolecularWeight: 524.34911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36ClIN.ClH/c1-4-7-9-11-18-26(23(25)6-3,19-12-10-8-5-2)20-17-21-13-15-22(24)16-14-21;/h3,13-16,23H,4-5,7-12,17-20H2,1-2H3;1H/q+1;/p-1