2-(2-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-di(nonyl)azanium chloride

Systemtic Name: 2-(2-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-di(nonyl)azanium chloride Openeye Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium chloride CAS Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium chloride IUPAC Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)azanium chloride Traditional Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium chloride Formula: C29H48Cl2IN MolecularWeight: 608.50859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](CCCCCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCCC[N+](CCCCCCCCC)(CCC1=CC=CC=C1Cl)C(C#C)I.[Cl-]

InChI

InChI=1S/C29H48ClIN.ClH/c1-4-7-9-11-13-15-19-24-32(29(31)6-3,25-20-16-14-12-10-8-5-2)26-23-27-21-17-18-22-28(27)30;/h3,17-18,21-22,29H,4-5,7-16,19-20,23-26H2,1-2H3;1H/q+1;/p-1