3-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol

Systemtic Name: 3-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol Openeye Name: 3-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol CAS Name: 3-[[4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazol-3-yl]oxy]-1-propanol IUPAC Name: 3-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol Traditional Name: 3-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol Formula: C11H14N3O2S+ MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2OCCCO

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2OCCCO

InChI

InChI=1S/C11H14N3O2S/c1-14-5-2-4-9(8-14)10-11(13-17-12-10)16-7-3-6-15/h2,4-5,8,15H,3,6-7H2,1H3/q+1