phenyl 2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoate

Systemtic Name: phenyl 2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanoate Openeye Name: phenyl 2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetate CAS Name: 2-(2,4,5-trimethyl-3-thiazol-3-iumyl)acetic acid phenyl ester IUPAC Name: phenyl 2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)acetate Traditional Name: 2-(2,4,5-trimethylthiazol-3-ium-3-yl)acetic acid phenyl ester Formula: C14H16NO2S+ MolecularWeight: 262.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1CC(=O)OC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=C(SC(=[N+]1CC(=O)OC2=CC=CC=C2)C)C

InChI

InChI=1S/C14H16NO2S/c1-10-11(2)18-12(3)15(10)9-14(16)17-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3/q+1