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

Systemtic Name: 2-(2-chlorophenyl)ethyl-(1-iodanylprop-2-ynyl)-di(nonyl)azanium Openeye Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium CAS Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium IUPAC Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)azanium Traditional Name: 2-(2-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium Formula: C29H48ClIN+ MolecularWeight: 573.05559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48ClIN/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/q+1