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

Systemtic Name: (2,6-dimethylphenyl)methyl-diheptyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: (2,6-dimethylphenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: (2,6-dimethylphenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: (2,6-dimethylphenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: (2,6-dimethylbenzyl)-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C26H43ClIN MolecularWeight: 531.98379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43IN.ClH/c1-6-9-11-13-15-20-28(26(27)8-3,21-16-14-12-10-7-2)22-25-23(4)18-17-19-24(25)5;/h3,17-19,26H,6-7,9-16,20-22H2,1-2,4-5H3;1H/q+1;/p-1