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

Systemtic Name: 2-[3-bromanyl-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]thiazole-4-carboxylate CAS Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[3-bromo-4-[2-(dimethylazaniumyl)ethoxy]phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-bromo-4-[2-(dimethylammonio)ethoxy]phenyl]thiazole-4-carboxylate Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-17(2)5-6-20-12-4-3-9(7-10(12)15)13-16-11(8-21-13)14(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)