(2,4-dichlorophenyl)methyl-dihexyl-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: (2,4-dichlorophenyl)methyl-dihexyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: (2,4-dichlorophenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: (2,4-dichlorophenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: (2,4-dichlorophenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: (2,4-dichlorobenzyl)-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C22H33Cl3IN MolecularWeight: 544.76759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CC1=C(C=C(C=C1)Cl)Cl)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CC1=C(C=C(C=C1)Cl)Cl)C(C#C)I.[Cl-]

InChI

InChI=1S/C22H33Cl2IN.ClH/c1-4-7-9-11-15-26(22(25)6-3,16-12-10-8-5-2)18-19-13-14-20(23)17-21(19)24;/h3,13-14,17,22H,4-5,7-12,15-16,18H2,1-2H3;1H/q+1;/p-1