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

Systemtic Name: (2,6-dimethylphenyl)methyl-(1-iodanylprop-2-ynyl)-dipentyl-azanium chloride Openeye Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipentyl-ammonium chloride CAS Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipentylammonium chloride IUPAC Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipentylazanium chloride Traditional Name: diamyl-(2,6-dimethylbenzyl)-(1-iodoprop-2-ynyl)ammonium chloride Formula: C22H35ClIN MolecularWeight: 475.87747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35IN.ClH/c1-6-9-11-16-24(22(23)8-3,17-12-10-7-2)18-21-19(4)14-13-15-20(21)5;/h3,13-15,22H,6-7,9-12,16-18H2,1-2,4-5H3;1H/q+1;/p-1