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

Systemtic Name: (2,6-dimethylphenyl)methyl-(1-iodanylprop-2-ynyl)-dipropyl-azanium chloride Openeye Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipropyl-ammonium chloride CAS Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipropylammonium chloride IUPAC Name: (2,6-dimethylphenyl)methyl-(1-iodoprop-2-ynyl)-dipropylazanium chloride Traditional Name: (2,6-dimethylbenzyl)-(1-iodoprop-2-ynyl)-dipropyl-ammonium chloride Formula: C18H27ClIN MolecularWeight: 419.77115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27IN.ClH/c1-6-12-20(13-7-2,18(19)8-3)14-17-15(4)10-9-11-16(17)5;/h3,9-11,18H,6-7,12-14H2,1-2,4-5H3;1H/q+1;/p-1