ethyl 2-[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]propanoate iodide

Systemtic Name: ethyl 2-[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]propanoate iodide Openeye Name: ethyl 2-[4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]propanoate iodide CAS Name: 2-[4-[(3-methyl-2-thiazol-3-iumyl)amino]phenyl]propanoic acid ethyl ester iodide IUPAC Name: ethyl 2-[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]propanoate iodide Traditional Name: 2-[4-[(3-methylthiazol-3-ium-2-yl)amino]phenyl]propionic acid ethyl ester iodide Formula: C15H19IN2O2S MolecularWeight: 418.29303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S.HI/c1-4-19-14(18)11(2)12-5-7-13(8-6-12)16-15-17(3)9-10-20-15;/h5-11H,4H2,1-3H3;1H