1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide

Systemtic Name: 1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Openeye Name: 1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide CAS Name: 1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methyl-1-piperidin-1-iumyl)ethanone iodide IUPAC Name: 1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Traditional Name: 1-(6,7-diethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylpiperidin-1-ium-1-yl)ethanone iodide Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1CC)C(=O)C[N+]3(CCCCC3)C)OCCO2.[I-]

Isomeric SMILES

CCC1=CC2=C(C(=C1CC)C(=O)C[N+]3(CCCCC3)C)OCCO2.[I-]

InChI

InChI=1S/C20H30NO3.HI/c1-4-15-13-18-20(24-12-11-23-18)19(16(15)5-2)17(22)14-21(3)9-7-6-8-10-21;/h13H,4-12,14H2,1-3H3;1H/q+1;/p-1