2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(3-phenylisoxazol-5-yl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-(3-phenyl-5-isoxazolyl)ethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-(3-phenylisoxazol-5-yl)ethanone bromide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CCO.[Br-]

InChI

InChI=1S/C17H17N2O3S.BrH/c1-12-17(7-8-20)23-11-19(12)10-15(21)16-9-14(18-22-16)13-5-3-2-4-6-13;/h2-6,9,11,20H,7-8,10H2,1H3;1H/q+1;/p-1