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

Systemtic Name: 2-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylate Formula: C15H17BrN2O3S MolecularWeight: 385.27608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-9-13(15(19)20)22-14(17-9)10-4-5-12(11(16)8-10)21-7-6-18(2)3/h4-5,8H,6-7H2,1-3H3,(H,19,20)