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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-1-piperidin-1-iumyl)-1-butanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)butan-1-one iodide Formula: C18H26INO3 MolecularWeight: 431.30841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3(CCCCC3)C.[I-]

Isomeric SMILES

CCC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3(CCCCC3)C.[I-]

InChI

InChI=1S/C18H26NO3.HI/c1-3-15(19(2)9-5-4-6-10-19)18(20)14-7-8-16-17(13-14)22-12-11-21-16;/h7-8,13,15H,3-6,9-12H2,1-2H3;1H/q+1;/p-1