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

Systemtic Name: dihexyl-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride CAS Name: dihexyl-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: benzyl-dihexyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C22H35ClIN MolecularWeight: 475.87747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35IN.ClH/c1-4-7-9-14-18-24(22(23)6-3,19-15-10-8-5-2)20-21-16-12-11-13-17-21;/h3,11-13,16-17,22H,4-5,7-10,14-15,18-20H2,1-2H3;1H/q+1;/p-1