1-iodanylprop-2-ynyl-dioctyl-[[2,4,6-tris(chloranyl)phenyl]methyl]azanium

Systemtic Name: 1-iodanylprop-2-ynyl-dioctyl-[[2,4,6-tris(chloranyl)phenyl]methyl]azanium Openeye Name: 1-iodoprop-2-ynyl-dioctyl-[(2,4,6-trichlorophenyl)methyl]ammonium CAS Name: 1-iodoprop-2-ynyl-dioctyl-[(2,4,6-trichlorophenyl)methyl]ammonium IUPAC Name: 1-iodoprop-2-ynyl-dioctyl-[(2,4,6-trichlorophenyl)methyl]azanium Traditional Name: 1-iodoprop-2-ynyl-dioctyl-(2,4,6-trichlorobenzyl)ammonium Formula: C26H40Cl3IN+ MolecularWeight: 599.86597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CC1=C(C=C(C=C1Cl)Cl)Cl)C(C#C)I

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CC1=C(C=C(C=C1Cl)Cl)Cl)C(C#C)I

InChI

InChI=1S/C26H40Cl3IN/c1-4-7-9-11-13-15-17-31(26(30)6-3,18-16-14-12-10-8-5-2)21-23-24(28)19-22(27)20-25(23)29/h3,19-20,26H,4-5,7-18,21H2,1-2H3/q+1