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

Systemtic Name: 2-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[5-bromo-2-[3-(dimethylazaniumyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[5-bromo-2-[3-(dimethylammonio)propoxy]phenyl]-4-methyl-thiazole-5-carboxylate Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O3S/c1-10-14(16(20)21)23-15(18-10)12-9-11(17)5-6-13(12)22-8-4-7-19(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,20,21)