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

Systemtic Name: 2-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-11-15(17(20)21)24-16(18-11)12-6-7-13(22-4)14(10-12)23-9-5-8-19(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,20,21)