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

Systemtic Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxy-phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxyphenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-ethoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-ethoxy-phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-13-16(18(21)22)25-17(19-13)12-7-8-14(15(11-12)23-6-2)24-10-9-20(3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,22)