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

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC[NH+](C)C)OCC)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC[NH+](C)C)OCC)C(=O)[O-]

InChI

InChI=1S/C19H26N2O4S/c1-5-14-17(19(22)23)26-18(20-14)13-8-9-15(16(12-13)24-6-2)25-11-7-10-21(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,22,23)