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

Systemtic Name: 2-(4-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-dipentyl-azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dipentyl-ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dipentylammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dipentylazanium chloride Traditional Name: diamyl-[2-(4-chlorophenyl)ethyl]-(1-iodoprop-2-ynyl)ammonium chloride Formula: C21H32Cl2IN MolecularWeight: 496.29595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClIN.ClH/c1-4-7-9-16-24(21(23)6-3,17-10-8-5-2)18-15-19-11-13-20(22)14-12-19;/h3,11-14,21H,4-5,7-10,15-18H2,1-2H3;1H/q+1;/p-1