ethyl 4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)amino]benzoate iodide

Systemtic Name: ethyl 4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)amino]benzoate iodide Openeye Name: ethyl 4-[(3,4-dimethylthiazol-3-ium-2-yl)amino]benzoate iodide CAS Name: 4-[(3,4-dimethyl-2-thiazol-3-iumyl)amino]benzoic acid ethyl ester iodide IUPAC Name: ethyl 4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)amino]benzoate iodide Traditional Name: 4-[(3,4-dimethylthiazol-3-ium-2-yl)amino]benzoic acid ethyl ester iodide Formula: C14H17IN2O2S MolecularWeight: 404.26645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C)C.[I-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C)C.[I-]

InChI

InChI=1S/C14H16N2O2S.HI/c1-4-18-13(17)11-5-7-12(8-6-11)15-14-16(3)10(2)9-19-14;/h5-9H,4H2,1-3H3;1H