1-iodanylprop-2-ynyl-[(2-methylphenyl)methyl]-dipentyl-azanium chloride

Systemtic Name: 1-iodanylprop-2-ynyl-[(2-methylphenyl)methyl]-dipentyl-azanium chloride Openeye Name: 1-iodoprop-2-ynyl-(o-tolylmethyl)-dipentyl-ammonium chloride CAS Name: 1-iodoprop-2-ynyl-[(2-methylphenyl)methyl]-dipentylammonium chloride IUPAC Name: 1-iodoprop-2-ynyl-[(2-methylphenyl)methyl]-dipentylazanium chloride Traditional Name: diamyl-(1-iodoprop-2-ynyl)-(2-methylbenzyl)ammonium chloride Formula: C21H33ClIN MolecularWeight: 461.85089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33IN.ClH/c1-5-8-12-16-23(21(22)7-3,17-13-9-6-2)18-20-15-11-10-14-19(20)4;/h3,10-11,14-15,21H,5-6,8-9,12-13,16-18H2,1-2,4H3;1H/q+1;/p-1