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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-13-16(18(21)22)25-17(19-13)12-8-6-9-14(23-4)15(12)24-11-7-10-20(2)3/h6,8-9H,5,7,10-11H2,1-4H3,(H,21,22)