3-[2-carboxyethyl-[4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-methyl-phenyl]amino]propanoic acid iodide

Systemtic Name: 3-[2-carboxyethyl-[4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-methyl-phenyl]amino]propanoic acid iodide Openeye Name: 3-[N-(2-carboxyethyl)-4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-3-methyl-anilino]propanoic acid iodide CAS Name: 3-[N-(2-carboxyethyl)-4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-methylanilino]propanoic acid iodide IUPAC Name: 3-[N-(2-carboxyethyl)-4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-3-methylanilino]propanoic acid iodide Traditional Name: 3-[N-(2-carboxyethyl)-4-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-3-methyl-anilino]propionic acid iodide Formula: C24H27IN2O4S MolecularWeight: 566.45165

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=C(C=C3)N(CCC(=O)O)CCC(=O)O)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C(C=C(C=C3)N(CCC(=O)O)CCC(=O)O)C.[I-]

InChI

InChI=1S/C24H26N2O4S.HI/c1-3-26-20-6-4-5-7-21(20)31-22(26)11-9-18-8-10-19(16-17(18)2)25(14-12-23(27)28)15-13-24(29)30;/h4-11,16H,3,12-15H2,1-2H3,(H-,27,28,29,30);1H