2-[4-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-5-yl]ethanol chloride

Systemtic Name: 2-[4-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-5-yl]ethanol chloride Openeye Name: 2-[4-methyl-3-(3-pyridylmethyl)thiazol-3-ium-5-yl]ethanol chloride CAS Name: 2-[4-methyl-3-(3-pyridinylmethyl)-5-thiazol-3-iumyl]ethanol chloride IUPAC Name: 2-[4-methyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-5-yl]ethanol chloride Traditional Name: 2-[4-methyl-3-(3-pyridylmethyl)thiazol-3-ium-5-yl]ethanol chloride Formula: C12H15ClN2OS MolecularWeight: 270.7783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=CC=C2)CCO.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=CC=C2)CCO.[Cl-]

InChI

InChI=1S/C12H15N2OS.ClH/c1-10-12(4-6-15)16-9-14(10)8-11-3-2-5-13-7-11;/h2-3,5,7,9,15H,4,6,8H2,1H3;1H/q+1;/p-1