1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanone iodide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanone iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanone iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-4-morpholin-4-iumyl)-2-phenylethanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylmorpholin-4-ium-4-yl)-2-phenylethanone iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylmorpholin-4-ium-4-yl)-2-phenyl-ethanone iodide Formula: C21H24INO4 MolecularWeight: 481.32403

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4.[I-]

InChI

InChI=1S/C21H24NO4.HI/c1-22(9-11-24-12-10-22)20(16-5-3-2-4-6-16)21(23)17-7-8-18-19(15-17)26-14-13-25-18;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1