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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanolate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanolate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenylethanolate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanolate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanolate Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3