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

Systemtic Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[2-(dimethylazaniumyl)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[2-(dimethylammonio)ethoxy]-3-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC[NH+](C)C)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC[NH+](C)C)OC)C(=O)[O-]

InChI

InChI=1S/C16H20N2O4S/c1-10-14(16(19)20)23-15(17-10)11-5-6-12(13(9-11)21-4)22-8-7-18(2)3/h5-6,9H,7-8H2,1-4H3,(H,19,20)