1-iodanylprop-2-ynyl-di(nonyl)-(phenylmethyl)azanium chloride

Systemtic Name: 1-iodanylprop-2-ynyl-di(nonyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium chloride CAS Name: 1-iodoprop-2-ynyl-di(nonyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)azanium chloride Traditional Name: benzyl-(1-iodoprop-2-ynyl)-di(nonyl)ammonium chloride Formula: C28H47ClIN MolecularWeight: 560.03695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47IN.ClH/c1-4-7-9-11-13-15-20-24-30(28(29)6-3,26-27-22-18-17-19-23-27)25-21-16-14-12-10-8-5-2;/h3,17-19,22-23,28H,4-5,7-16,20-21,24-26H2,1-2H3;1H/q+1;/p-1