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

Systemtic Name: 3-[4-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Openeye Name: 3-[4-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynoxy]-4,5-dihydroisoxazole iodide CAS Name: 3-[4-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynoxy]-4,5-dihydroisoxazole iodide IUPAC Name: 3-[4-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynoxy]-4,5-dihydro-1,2-oxazole iodide Traditional Name: 3-[4-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)but-2-ynoxy]-2-isoxazoline iodide Formula: C17H21IN2O2 MolecularWeight: 412.26531

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC=CC=C2C1)CC#CCOC3=NOCC3.[I-]

Isomeric SMILES

C[N+]1(CCC2=CC=CC=C2C1)CC#CCOC3=NOCC3.[I-]

InChI

InChI=1S/C17H21N2O2.HI/c1-19(10-4-5-12-20-17-9-13-21-18-17)11-8-15-6-2-3-7-16(15)14-19;/h2-3,6-7H,8-14H2,1H3;1H/q+1;/p-1