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

Systemtic Name: 1-iodanylprop-2-ynyl-dipentyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-iodoprop-2-ynyl)-dipentyl-ammonium chloride CAS Name: 1-iodoprop-2-ynyl-dipentyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-iodoprop-2-ynyl)-dipentylazanium chloride Traditional Name: diamyl-benzyl-(1-iodoprop-2-ynyl)ammonium chloride Formula: C20H31ClIN MolecularWeight: 447.82431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31IN.ClH/c1-4-7-12-16-22(20(21)6-3,17-13-8-5-2)18-19-14-10-9-11-15-19;/h3,9-11,14-15,20H,4-5,7-8,12-13,16-18H2,1-2H3;1H/q+1;/p-1