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

Systemtic Name: 2-[2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]thiazol-4-yl]acetate Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-4-23-16-10-13(18-19-14(12-25-18)11-17(21)22)6-7-15(16)24-9-5-8-20(2)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,21,22)