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

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]-4-ethyl-thiazole-5-carboxylate Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-5-13-16(18(21)22)25-17(19-13)12-7-8-14(15(11-12)23-4)24-10-6-9-20(2)3/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,22)