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

Systemtic Name: 2-[3-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-[2-(dimethylammonio)ethoxy]phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[3-[2-(dimethylammonio)ethoxy]phenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[3-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[2-(dimethylammonio)ethoxy]phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-4-13-14(16(19)20)22-15(17-13)11-6-5-7-12(10-11)21-9-8-18(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,19,20)