3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide

Systemtic Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide Openeye Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide CAS Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide IUPAC Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid iodide Traditional Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propionic acid iodide Formula: C13H16INO3S MolecularWeight: 393.24051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)SC(=[N+]2CCC(=O)O)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1OC)SC(=[N+]2CCC(=O)O)C.[I-]

InChI

InChI=1S/C13H15NO3S.HI/c1-8-6-10-12(7-11(8)17-3)18-9(2)14(10)5-4-13(15)16;/h6-7H,4-5H2,1-3H3;1H