4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide

Systemtic Name: 4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide Openeye Name: 4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide CAS Name: 4-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide IUPAC Name: 4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide Traditional Name: 4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-phenyl-1,4-benzothiazin-3-one iodide Formula: C21H25IN2O2S MolecularWeight: 496.40487

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCN2C3=CC=CC=C3SC(C2=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H25N2O2S.HI/c1-23(13-15-25-16-14-23)12-11-22-18-9-5-6-10-19(18)26-20(21(22)24)17-7-3-2-4-8-17;/h2-10,20H,11-16H2,1H3;1H/q+1;/p-1