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

Systemtic Name: 2-(4-chlorophenyl)ethyl-didodecyl-(1-iodanylprop-2-ynyl)azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-didodecyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-didodecyl-(1-iodoprop-2-ynyl)ammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-didodecyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: 2-(4-chlorophenyl)ethyl-(1-iodoprop-2-ynyl)-dilauryl-ammonium chloride Formula: C35H60Cl2IN MolecularWeight: 692.66807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H60ClIN.ClH/c1-4-7-9-11-13-15-17-19-21-23-30-38(35(37)6-3,32-29-33-25-27-34(36)28-26-33)31-24-22-20-18-16-14-12-10-8-5-2;/h3,25-28,35H,4-5,7-24,29-32H2,1-2H3;1H/q+1;/p-1