3-(1-methylpyridin-1-ium-3-yl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[(E)-pent-2-enoxy]-1,2,5-thiadiazole iodide Formula: C13H16IN3OS MolecularWeight: 389.25511

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCOC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC/C=C/COC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C13H16N3OS.HI/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11;/h4-8,10H,3,9H2,1-2H3;1H/q+1;/p-1/b5-4+;