dibutyl-(3-phenylprop-2-ynyl)-prop-2-ynyl-azanium iodide

Systemtic Name: dibutyl-(3-phenylprop-2-ynyl)-prop-2-ynyl-azanium iodide Openeye Name: dibutyl-(3-phenylprop-2-ynyl)-prop-2-ynyl-ammonium iodide CAS Name: dibutyl-(3-phenylprop-2-ynyl)-prop-2-ynylammonium iodide IUPAC Name: dibutyl-(3-phenylprop-2-ynyl)-prop-2-ynylazanium iodide Traditional Name: dibutyl-(3-phenylprop-2-ynyl)-propargyl-ammonium iodide Formula: C20H28IN MolecularWeight: 409.34749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N.HI/c1-4-7-17-21(16-6-3,18-8-5-2)19-12-15-20-13-10-9-11-14-20;/h3,9-11,13-14H,4-5,7-8,16-19H2,1-2H3;1H/q+1;/p-1