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

Systemtic Name: 3-but-2-ynoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole Openeye Name: 3-but-2-ynoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole CAS Name: 3-but-2-ynoxy-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole IUPAC Name: 3-but-2-ynoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole Traditional Name: 3-but-2-ynoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole Formula: C12H12N3OS+ MolecularWeight: 246.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=NSN=C1C2=C[N+](=CC=C2)C

Isomeric SMILES

CC#CCOC1=NSN=C1C2=C[N+](=CC=C2)C

InChI

InChI=1S/C12H12N3OS/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h5-7,9H,8H2,1-2H3/q+1