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

Systemtic Name: 2-[2-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]phenyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]thiazol-4-yl]acetate CAS Name: 2-[2-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[3-bromo-4-[3-(dimethylazaniumyl)propoxy]phenyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-bromo-4-[3-(dimethylammonio)propoxy]phenyl]thiazol-4-yl]acetate Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3S/c1-19(2)6-3-7-22-14-5-4-11(8-13(14)17)16-18-12(10-23-16)9-15(20)21/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,20,21)