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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Br)C2=NC(=CS2)C(=O)[O-]

InChI

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