dibutyl-[(2,4-dichlorophenyl)methyl]-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: dibutyl-[(2,4-dichlorophenyl)methyl]-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: dibutyl-[(2,4-dichlorophenyl)methyl]-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: dibutyl-[(2,4-dichlorophenyl)methyl]-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: dibutyl-[(2,4-dichlorophenyl)methyl]-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: dibutyl-(2,4-dichlorobenzyl)-(1-iodoprop-2-ynyl)ammonium chloride Formula: C18H25Cl3IN MolecularWeight: 488.66127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25Cl2IN.ClH/c1-4-7-11-22(12-8-5-2,18(21)6-3)14-15-9-10-16(19)13-17(15)20;/h3,9-10,13,18H,4-5,7-8,11-12,14H2,1-2H3;1H/q+1;/p-1