methyl 4-[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethanoylamino]-2-oxidanyl-benzoate bromide

Systemtic Name: methyl 4-[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethanoylamino]-2-oxidanyl-benzoate bromide Openeye Name: methyl 2-hydroxy-4-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]acetyl]amino]benzoate bromide CAS Name: 2-hydroxy-4-[[2-[5-(2-hydroxyethyl)-4-methyl-2-thiazol-3-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester bromide IUPAC Name: methyl 2-hydroxy-4-[[2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]acetyl]amino]benzoate bromide Traditional Name: 2-hydroxy-4-[[2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]acetyl]amino]benzoic acid methyl ester bromide Formula: C16H19BrN2O5S MolecularWeight: 431.30146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O)CCO.[Br-]

Isomeric SMILES

CC1=C(SC(=[NH+]1)CC(=O)NC2=CC(=C(C=C2)C(=O)OC)O)CCO.[Br-]

InChI

InChI=1S/C16H18N2O5S.BrH/c1-9-13(5-6-19)24-15(17-9)8-14(21)18-10-3-4-11(12(20)7-10)16(22)23-2;/h3-4,7,19-20H,5-6,8H2,1-2H3,(H,18,21);1H