2-[2-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]thiazol-4-yl]acetate Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)[O-])Br

InChI

InChI=1S/C15H17BrN2O3S/c1-18(2)5-6-21-13-4-3-10(7-12(13)16)15-17-11(9-22-15)8-14(19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)