3-(2-ethynyl-1-methyl-pyridin-1-ium-3-yl)-1H-indole iodide

Systemtic Name: 3-(2-ethynyl-1-methyl-pyridin-1-ium-3-yl)-1H-indole iodide Openeye Name: 3-(2-ethynyl-1-methyl-pyridin-1-ium-3-yl)-1H-indole iodide CAS Name: 3-(2-ethynyl-1-methyl-3-pyridin-1-iumyl)-1H-indole iodide IUPAC Name: 3-(2-ethynyl-1-methylpyridin-1-ium-3-yl)-1H-indole iodide Traditional Name: 3-(2-ethynyl-1-methyl-pyridin-1-ium-3-yl)-1H-indole iodide Formula: C16H13IN2 MolecularWeight: 360.19229

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1C#C)C2=CNC3=CC=CC=C32.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1C#C)C2=CNC3=CC=CC=C32.[I-]

InChI

InChI=1S/C16H13N2.HI/c1-3-16-13(8-6-10-18(16)2)14-11-17-15-9-5-4-7-12(14)15;/h1,4-11,17H,2H3;1H/q+1;/p-1