2-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[3-chloranyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]thiazole-4-carboxylate CAS Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxyphenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-chloro-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxyphenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-chloro-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]thiazole-4-carboxylate Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4S/c1-4-23-14-9-11(16-19-13(10-25-16)17(21)22)8-12(18)15(14)24-7-5-6-20(2)3/h8-10H,4-7H2,1-3H3,(H,21,22)