3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide

Systemtic Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Openeye Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydroisoxazole iodide CAS Name: 3-[4-(1-methyl-1-piperidin-1-iumyl)but-2-ynoxy]-4,5-dihydroisoxazole iodide IUPAC Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Traditional Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-2-isoxazoline iodide Formula: C13H21IN2O2 MolecularWeight: 364.22251

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CCOC2=NOCC2.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC#CCOC2=NOCC2.[I-]

InChI

InChI=1S/C13H21N2O2.HI/c1-15(8-3-2-4-9-15)10-5-6-11-16-13-7-12-17-14-13;/h2-4,7-12H2,1H3;1H/q+1;/p-1