3-(2-hexyl-1,2,3,4-tetrazol-5-yl)-1-methyl-pyridin-1-ium iodide

Systemtic Name: 3-(2-hexyl-1,2,3,4-tetrazol-5-yl)-1-methyl-pyridin-1-ium iodide Openeye Name: 3-(2-hexyltetrazol-5-yl)-1-methyl-pyridin-1-ium iodide CAS Name: 3-(2-hexyl-5-tetrazolyl)-1-methylpyridin-1-ium iodide IUPAC Name: 3-(2-hexyltetrazol-5-yl)-1-methylpyridin-1-ium iodide Traditional Name: 3-(2-hexyltetrazol-5-yl)-1-methyl-pyridin-1-ium iodide Formula: C13H20IN5 MolecularWeight: 373.23587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1N=C(N=N1)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCCCN1N=C(N=N1)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C13H20N5.HI/c1-3-4-5-6-10-18-15-13(14-16-18)12-8-7-9-17(2)11-12;/h7-9,11H,3-6,10H2,1-2H3;1H/q+1;/p-1