(2,6-dimethylphenyl)methyl-dihexyl-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: (2,6-dimethylphenyl)methyl-dihexyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: (2,6-dimethylphenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: (2,6-dimethylphenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: (2,6-dimethylphenyl)methyl-dihexyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: (2,6-dimethylbenzyl)-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C24H39ClIN MolecularWeight: 503.93063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CC1=C(C=CC=C1C)C)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CC1=C(C=CC=C1C)C)C(C#C)I.[Cl-]

InChI

InChI=1S/C24H39IN.ClH/c1-6-9-11-13-18-26(24(25)8-3,19-14-12-10-7-2)20-23-21(4)16-15-17-22(23)5;/h3,15-17,24H,6-7,9-14,18-20H2,1-2,4-5H3;1H/q+1;/p-1