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

Systemtic Name: (2,4-dichlorophenyl)methyl-(1-iodanylprop-2-ynyl)-dipentyl-azanium chloride Openeye Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipentyl-ammonium chloride CAS Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipentylammonium chloride IUPAC Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipentylazanium chloride Traditional Name: diamyl-(2,4-dichlorobenzyl)-(1-iodoprop-2-ynyl)ammonium chloride Formula: C20H29Cl3IN MolecularWeight: 516.71443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29Cl2IN.ClH/c1-4-7-9-13-24(20(23)6-3,14-10-8-5-2)16-17-11-12-18(21)15-19(17)22;/h3,11-12,15,20H,4-5,7-10,13-14,16H2,1-2H3;1H/q+1;/p-1