didodecyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium chloride

Systemtic Name: didodecyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-didodecyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: didodecyl-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-didodecyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: benzyl-(1-iodoprop-2-ynyl)-dilauryl-ammonium chloride Formula: C34H59ClIN MolecularWeight: 644.19643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C(C#C)I.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C(C#C)I.[Cl-]

InChI

InChI=1S/C34H59IN.ClH/c1-4-7-9-11-13-15-17-19-21-26-30-36(34(35)6-3,32-33-28-24-23-25-29-33)31-27-22-20-18-16-14-12-10-8-5-2;/h3,23-25,28-29,34H,4-5,7-22,26-27,30-32H2,1-2H3;1H/q+1;/p-1