(2,4-dichlorophenyl)methyl-diheptyl-(1-iodanylprop-2-ynyl)azanium

Systemtic Name: (2,4-dichlorophenyl)methyl-diheptyl-(1-iodanylprop-2-ynyl)azanium Openeye Name: (2,4-dichlorophenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)ammonium CAS Name: (2,4-dichlorophenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)ammonium IUPAC Name: (2,4-dichlorophenyl)methyl-diheptyl-(1-iodoprop-2-ynyl)azanium Traditional Name: (2,4-dichlorobenzyl)-diheptyl-(1-iodoprop-2-ynyl)ammonium Formula: C24H37Cl2IN+ MolecularWeight: 537.36775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(CC1=C(C=C(C=C1)Cl)Cl)C(C#C)I

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(CC1=C(C=C(C=C1)Cl)Cl)C(C#C)I

InChI

InChI=1S/C24H37Cl2IN/c1-4-7-9-11-13-17-28(24(27)6-3,18-14-12-10-8-5-2)20-21-15-16-22(25)19-23(21)26/h3,15-16,19,24H,4-5,7-14,17-18,20H2,1-2H3/q+1