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

Systemtic Name: 2-(2-chlorophenyl)ethyl-dihexyl-(1-iodanylprop-2-ynyl)azanium Openeye Name: 2-(2-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium CAS Name: 2-(2-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium IUPAC Name: 2-(2-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)azanium Traditional Name: 2-(2-chlorophenyl)ethyl-dihexyl-(1-iodoprop-2-ynyl)ammonium Formula: C23H36ClIN+ MolecularWeight: 488.89611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I

InChI

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