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

Systemtic Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole Openeye Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydroisoxazole CAS Name: 3-[4-(1-methyl-1-piperidin-1-iumyl)but-2-ynoxy]-4,5-dihydroisoxazole IUPAC Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole Traditional Name: 3-[4-(1-methylpiperidin-1-ium-1-yl)but-2-ynoxy]-2-isoxazoline Formula: C13H21N2O2+ MolecularWeight: 237.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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