2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NC(=CS2)CC(=O)[O-])OCC[NH+](C)C

InChI

InChI=1S/C17H22N2O4S/c1-4-22-15-9-12(5-6-14(15)23-8-7-19(2)3)17-18-13(11-24-17)10-16(20)21/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,20,21)