2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]thiazole-4-carboxylate Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-4-22-15-10-12(16-18-13(11-24-16)17(20)21)6-7-14(15)23-9-5-8-19(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)