3-(1-methylpyridin-1-ium-3-yl)-4-pent-3-ynoxy-1,2,5-thiadiazole

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pent-3-ynoxy-1,2,5-thiadiazole Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pent-3-ynoxy-1,2,5-thiadiazole CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-pent-3-ynoxy-1,2,5-thiadiazole IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pent-3-ynoxy-1,2,5-thiadiazole Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pent-3-ynoxy-1,2,5-thiadiazole Formula: C13H14N3OS+ MolecularWeight: 260.33476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCCOC1=NSN=C1C2=C[N+](=CC=C2)C

Isomeric SMILES

CC#CCCOC1=NSN=C1C2=C[N+](=CC=C2)C

InChI

InChI=1S/C13H14N3OS/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h6-8,10H,5,9H2,1-2H3/q+1