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

Systemtic Name: 2-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-(dimethylammonio)propoxy]-3-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=C(C(=CC=C2)OC)OCCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-11-15(17(20)21)24-16(18-11)12-7-5-8-13(22-4)14(12)23-10-6-9-19(2)3/h5,7-8H,6,9-10H2,1-4H3,(H,20,21)