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

Systemtic Name: diheptyl-(1-iodanylprop-2-ynyl)-[(2-methylphenyl)methyl]azanium chloride Openeye Name: diheptyl-(1-iodoprop-2-ynyl)-(o-tolylmethyl)ammonium chloride CAS Name: diheptyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]ammonium chloride IUPAC Name: diheptyl-(1-iodoprop-2-ynyl)-[(2-methylphenyl)methyl]azanium chloride Traditional Name: diheptyl-(1-iodoprop-2-ynyl)-(2-methylbenzyl)ammonium chloride Formula: C25H41ClIN MolecularWeight: 517.95721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41IN.ClH/c1-5-8-10-12-16-20-27(25(26)7-3,21-17-13-11-9-6-2)22-24-19-15-14-18-23(24)4;/h3,14-15,18-19,25H,5-6,8-13,16-17,20-22H2,1-2,4H3;1H/q+1;/p-1