2-(4-chlorophenyl)ethyl-diheptyl-(1-iodanylprop-2-ynyl)azanium chloride

Systemtic Name: 2-(4-chlorophenyl)ethyl-diheptyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-diheptyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: 2-(4-chlorophenyl)ethyl-diheptyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C25H40Cl2IN MolecularWeight: 552.40227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CCCCCCC)(CCC1=CC=C(C=C1)Cl)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCC[N+](CCCCCCC)(CCC1=CC=C(C=C1)Cl)C(C#C)I.[Cl-]

InChI

InChI=1S/C25H40ClIN.ClH/c1-4-7-9-11-13-20-28(25(27)6-3,21-14-12-10-8-5-2)22-19-23-15-17-24(26)18-16-23;/h3,15-18,25H,4-5,7-14,19-22H2,1-2H3;1H/q+1;/p-1