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

Systemtic Name: ethyl 2-[3-chloranyl-4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]propanoate Openeye Name: ethyl 2-[3-chloro-4-[(3,4-dimethylthiazol-3-ium-2-yl)amino]phenyl]propanoate CAS Name: 2-[3-chloro-4-[(3,4-dimethyl-2-thiazol-3-iumyl)amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-chloro-4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]propanoate Traditional Name: 2-[3-chloro-4-[(3,4-dimethylthiazol-3-ium-2-yl)amino]phenyl]propionic acid ethyl ester Formula: C16H20ClN2O2S+ MolecularWeight: 339.8602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC(=C(C=C1)NC2=[N+](C(=CS2)C)C)Cl

Isomeric SMILES

CCOC(=O)C(C)C1=CC(=C(C=C1)NC2=[N+](C(=CS2)C)C)Cl

InChI

InChI=1S/C16H19ClN2O2S/c1-5-21-15(20)11(3)12-6-7-14(13(17)8-12)18-16-19(4)10(2)9-22-16/h6-9,11H,5H2,1-4H3/p+1