2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-propane-1,3-diol

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-propane-1,3-diol Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-propane-1,3-diol CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenylpropane-1,3-diol IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylpropane-1,3-diol Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-propane-1,3-diol Formula: C14H18NO2S+ MolecularWeight: 264.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C(CO)C(C2=CC=CC=C2)O)C

Isomeric SMILES

CC1=C(SC=[N+]1C(CO)C(C2=CC=CC=C2)O)C

InChI

InChI=1S/C14H18NO2S/c1-10-11(2)18-9-15(10)13(8-16)14(17)12-6-4-3-5-7-12/h3-7,9,13-14,16-17H,8H2,1-2H3/q+1