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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-1-piperidin-1-iumyl)-1-propanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Formula: C17H24INO3 MolecularWeight: 417.28183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24NO3.HI/c1-18(8-3-2-4-9-18)10-7-15(19)14-5-6-16-17(13-14)21-12-11-20-16;/h5-6,13H,2-4,7-12H2,1H3;1H/q+1;/p-1