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

Systemtic Name: (2,4-dichlorophenyl)methyl-(1-iodanylprop-2-ynyl)-dipropyl-azanium chloride Openeye Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipropyl-ammonium chloride CAS Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipropylammonium chloride IUPAC Name: (2,4-dichlorophenyl)methyl-(1-iodoprop-2-ynyl)-dipropylazanium chloride Traditional Name: (2,4-dichlorobenzyl)-(1-iodoprop-2-ynyl)-dipropyl-ammonium chloride Formula: C16H21Cl3IN MolecularWeight: 460.60811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21Cl2IN.ClH/c1-4-9-20(10-5-2,16(19)6-3)12-13-7-8-14(17)11-15(13)18;/h3,7-8,11,16H,4-5,9-10,12H2,1-2H3;1H/q+1;/p-1