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

Systemtic Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]thiazol-4-yl]acetate Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-18(2)6-7-22-13-5-4-11(8-14(13)21-3)16-17-12(10-23-16)9-15(19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)