2-(2,3-dimethyl-4-oxidanylidene-1,5-benzothiazepin-5-yl)ethylazanium iodide

Systemtic Name: 2-(2,3-dimethyl-4-oxidanylidene-1,5-benzothiazepin-5-yl)ethylazanium iodide Openeye Name: 2-(2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl)ethylammonium iodide CAS Name: 2-(2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl)ethylammonium iodide IUPAC Name: 2-(2,3-dimethyl-4-oxo-1,5-benzothiazepin-5-yl)ethylazanium iodide Traditional Name: 2-(4-keto-2,3-dimethyl-1,5-benzothiazepin-5-yl)ethylammonium iodide Formula: C13H17IN2OS MolecularWeight: 376.25635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C2N(C1=O)CC[NH3+])C.[I-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C2N(C1=O)CC[NH3+])C.[I-]

InChI

InChI=1S/C13H16N2OS.HI/c1-9-10(2)17-12-6-4-3-5-11(12)15(8-7-14)13(9)16;/h3-6H,7-8,14H2,1-2H3;1H