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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-1-piperidin-1-iumyl)ethanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Formula: C16H22INO3 MolecularWeight: 403.25525

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(=O)C2=CC3=C(C=C2)OCCO3.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC(=O)C2=CC3=C(C=C2)OCCO3.[I-]

InChI

InChI=1S/C16H22NO3.HI/c1-17(7-3-2-4-8-17)12-14(18)13-5-6-15-16(11-13)20-10-9-19-15;/h5-6,11H,2-4,7-10,12H2,1H3;1H/q+1;/p-1