2-[4-(carboxymethyloxy)phenyl]ethyl-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)-2-oxidanyl-ethyl]azanium chloride

Systemtic Name: 2-[4-(carboxymethyloxy)phenyl]ethyl-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)-2-oxidanyl-ethyl]azanium chloride Openeye Name: 2-[4-(carboxymethyloxy)phenyl]ethyl-[2-hydroxy-2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl]ammonium chloride CAS Name: 2-[4-(carboxymethyloxy)phenyl]ethyl-[2-hydroxy-2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl]ammonium chloride IUPAC Name: 2-[4-(carboxymethyloxy)phenyl]ethyl-[2-hydroxy-2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl]azanium chloride Traditional Name: 2-[4-(carboxymethyloxy)phenyl]ethyl-[2-hydroxy-2-(2-keto-3-methyl-1,3-benzothiazol-6-yl)ethyl]ammonium chloride Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(C[NH2+]CCC3=CC=C(C=C3)OCC(=O)O)O)SC1=O.[Cl-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(C[NH2+]CCC3=CC=C(C=C3)OCC(=O)O)O)SC1=O.[Cl-]

InChI

InChI=1S/C20H22N2O5S.ClH/c1-22-16-7-4-14(10-18(16)28-20(22)26)17(23)11-21-9-8-13-2-5-15(6-3-13)27-12-19(24)25;/h2-7,10,17,21,23H,8-9,11-12H2,1H3,(H,24,25);1H